NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
507295 | 2ecw | 11161 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ecw save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 27 _Distance_constraint_stats_list.Viol_count 235 _Distance_constraint_stats_list.Viol_total 19.279 _Distance_constraint_stats_list.Viol_max 0.028 _Distance_constraint_stats_list.Viol_rms 0.0033 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0018 _Distance_constraint_stats_list.Viol_average_violations_only 0.0041 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 22 CYS 0.174 0.016 14 0 "[ . 1 . 2]" 1 25 CYS 0.076 0.014 14 0 "[ . 1 . 2]" 1 37 CYS 0.353 0.013 20 0 "[ . 1 . 2]" 1 39 HIS 0.133 0.028 13 0 "[ . 1 . 2]" 1 42 CYS 0.088 0.006 8 0 "[ . 1 . 2]" 1 45 CYS 0.048 0.008 14 0 "[ . 1 . 2]" 1 62 CYS 0.149 0.028 13 0 "[ . 1 . 2]" 1 65 CYS 0.254 0.020 12 0 "[ . 1 . 2]" 2 1 ZN 0.230 0.016 14 0 "[ . 1 . 2]" 3 1 ZN 0.424 0.020 12 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 22 CYS SG 2 1 ZN ZN . 2.190 2.390 2.391 2.383 2.402 0.012 8 0 "[ . 1 . 2]" 1 2 1 22 CYS CB 2 1 ZN ZN . 3.250 3.510 3.246 3.234 3.251 0.016 14 0 "[ . 1 . 2]" 1 3 1 25 CYS SG 2 1 ZN ZN . 2.190 2.390 2.260 2.187 2.392 0.003 4 0 "[ . 1 . 2]" 1 4 1 25 CYS CB 2 1 ZN ZN . 3.250 3.510 3.385 3.249 3.517 0.007 8 0 "[ . 1 . 2]" 1 5 1 42 CYS SG 2 1 ZN ZN . 2.190 2.390 2.380 2.312 2.396 0.006 8 0 "[ . 1 . 2]" 1 6 1 42 CYS CB 2 1 ZN ZN . 3.250 3.510 3.256 3.246 3.325 0.004 12 0 "[ . 1 . 2]" 1 7 1 45 CYS SG 2 1 ZN ZN . 2.190 2.390 2.193 2.182 2.250 0.008 14 0 "[ . 1 . 2]" 1 8 1 45 CYS CB 2 1 ZN ZN . 3.250 3.510 3.355 3.261 3.435 . 0 0 "[ . 1 . 2]" 1 9 1 22 CYS SG 1 25 CYS SG . 3.560 3.960 3.574 3.546 3.651 0.014 14 0 "[ . 1 . 2]" 1 10 1 22 CYS SG 1 42 CYS SG . 3.560 3.960 3.596 3.555 3.779 0.005 8 0 "[ . 1 . 2]" 1 11 1 22 CYS SG 1 45 CYS SG . 3.560 3.960 3.899 3.693 3.968 0.008 7 0 "[ . 1 . 2]" 1 12 1 25 CYS SG 1 42 CYS SG . 3.560 3.960 3.599 3.555 3.742 0.005 12 0 "[ . 1 . 2]" 1 13 1 25 CYS SG 1 45 CYS SG . 3.560 3.960 3.907 3.703 3.963 0.003 18 0 "[ . 1 . 2]" 1 14 1 42 CYS SG 1 45 CYS SG . 3.560 3.960 3.822 3.703 3.939 . 0 0 "[ . 1 . 2]" 1 15 1 37 CYS SG 3 1 ZN ZN . 2.190 2.390 2.394 2.366 2.403 0.013 20 0 "[ . 1 . 2]" 1 16 1 37 CYS CB 3 1 ZN ZN . 3.250 3.510 3.249 3.237 3.322 0.013 20 0 "[ . 1 . 2]" 1 17 1 39 HIS ND1 3 1 ZN ZN . . 2.100 1.983 1.883 2.098 0.017 13 0 "[ . 1 . 2]" 1 18 1 62 CYS SG 3 1 ZN ZN . 2.190 2.390 2.324 2.209 2.392 0.002 12 0 "[ . 1 . 2]" 1 19 1 62 CYS CB 3 1 ZN ZN . 3.250 3.510 3.260 3.232 3.380 0.018 13 0 "[ . 1 . 2]" 1 20 1 65 CYS SG 3 1 ZN ZN . 2.190 2.390 2.250 2.174 2.377 0.016 12 0 "[ . 1 . 2]" 1 21 1 65 CYS CB 3 1 ZN ZN . 3.250 3.510 3.510 3.427 3.530 0.020 12 0 "[ . 1 . 2]" 1 22 1 37 CYS SG 1 39 HIS ND1 . 3.320 3.720 3.327 3.310 3.444 0.010 13 0 "[ . 1 . 2]" 1 23 1 37 CYS SG 1 62 CYS SG . 3.560 3.960 3.772 3.555 3.962 0.005 9 0 "[ . 1 . 2]" 1 24 1 37 CYS SG 1 65 CYS SG . 3.560 3.960 3.560 3.551 3.614 0.009 7 0 "[ . 1 . 2]" 1 25 1 39 HIS ND1 1 62 CYS SG . 3.320 3.720 3.693 3.515 3.748 0.028 13 0 "[ . 1 . 2]" 1 26 1 39 HIS ND1 1 65 CYS SG . 3.320 3.720 3.698 3.532 3.725 0.005 9 0 "[ . 1 . 2]" 1 27 1 62 CYS SG 1 65 CYS SG . 3.560 3.960 3.699 3.548 3.970 0.012 13 0 "[ . 1 . 2]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 1123 _Distance_constraint_stats_list.Viol_count 462 _Distance_constraint_stats_list.Viol_total 207.380 _Distance_constraint_stats_list.Viol_max 0.268 _Distance_constraint_stats_list.Viol_rms 0.0057 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0005 _Distance_constraint_stats_list.Viol_average_violations_only 0.0224 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 8 MET 0.000 0.000 . 0 "[ . 1 . 2]" 1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 12 VAL 0.085 0.084 5 0 "[ . 1 . 2]" 1 13 LEU 0.142 0.084 5 0 "[ . 1 . 2]" 1 14 GLU 0.040 0.040 11 0 "[ . 1 . 2]" 1 15 MET 0.240 0.096 9 0 "[ . 1 . 2]" 1 16 ILE 0.096 0.046 16 0 "[ . 1 . 2]" 1 17 LYS 0.737 0.151 9 0 "[ . 1 . 2]" 1 18 GLU 0.477 0.083 11 0 "[ . 1 . 2]" 1 19 GLU 0.178 0.100 8 0 "[ . 1 . 2]" 1 20 VAL 0.649 0.100 8 0 "[ . 1 . 2]" 1 21 THR 0.378 0.034 17 0 "[ . 1 . 2]" 1 22 CYS 0.127 0.027 14 0 "[ . 1 . 2]" 1 23 PRO 0.069 0.014 8 0 "[ . 1 . 2]" 1 24 ILE 0.134 0.021 7 0 "[ . 1 . 2]" 1 25 CYS 0.017 0.017 11 0 "[ . 1 . 2]" 1 26 LEU 0.022 0.012 18 0 "[ . 1 . 2]" 1 27 GLU 0.461 0.037 3 0 "[ . 1 . 2]" 1 28 LEU 0.498 0.058 12 0 "[ . 1 . 2]" 1 29 LEU 0.621 0.062 8 0 "[ . 1 . 2]" 1 30 LYS 0.188 0.135 20 0 "[ . 1 . 2]" 1 31 GLU 0.061 0.028 11 0 "[ . 1 . 2]" 1 32 PRO 0.064 0.025 15 0 "[ . 1 . 2]" 1 33 VAL 0.322 0.041 13 0 "[ . 1 . 2]" 1 34 SER 0.307 0.047 15 0 "[ . 1 . 2]" 1 35 ALA 0.227 0.038 13 0 "[ . 1 . 2]" 1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]" 1 37 CYS 0.401 0.056 10 0 "[ . 1 . 2]" 1 38 ASN 0.396 0.056 10 0 "[ . 1 . 2]" 1 39 HIS 0.326 0.062 13 0 "[ . 1 . 2]" 1 40 SER 0.277 0.034 10 0 "[ . 1 . 2]" 1 41 PHE 0.366 0.037 7 0 "[ . 1 . 2]" 1 42 CYS 0.123 0.027 14 0 "[ . 1 . 2]" 1 43 ARG 0.837 0.268 17 0 "[ . 1 . 2]" 1 44 ALA 0.005 0.005 6 0 "[ . 1 . 2]" 1 45 CYS 0.068 0.016 14 0 "[ . 1 . 2]" 1 46 ILE 0.254 0.037 7 0 "[ . 1 . 2]" 1 47 THR 0.005 0.005 6 0 "[ . 1 . 2]" 1 48 LEU 0.502 0.221 14 0 "[ . 1 . 2]" 1 49 ASN 0.376 0.159 18 0 "[ . 1 . 2]" 1 50 TYR 0.036 0.018 10 0 "[ . 1 . 2]" 1 51 GLU 0.241 0.221 14 0 "[ . 1 . 2]" 1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]" 1 53 ASN 0.271 0.050 14 0 "[ . 1 . 2]" 1 54 ARG 0.862 0.194 19 0 "[ . 1 . 2]" 1 55 ASN 0.165 0.052 15 0 "[ . 1 . 2]" 1 56 THR 0.078 0.048 14 0 "[ . 1 . 2]" 1 57 ASP 0.078 0.048 14 0 "[ . 1 . 2]" 1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 59 LYS 0.037 0.013 14 0 "[ . 1 . 2]" 1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 61 ASN 0.258 0.084 16 0 "[ . 1 . 2]" 1 62 CYS 0.308 0.088 12 0 "[ . 1 . 2]" 1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]" 1 64 VAL 0.295 0.062 13 0 "[ . 1 . 2]" 1 65 CYS 0.025 0.009 15 0 "[ . 1 . 2]" 1 66 ARG 0.143 0.084 16 0 "[ . 1 . 2]" 1 67 VAL 0.235 0.083 19 0 "[ . 1 . 2]" 1 68 PRO 0.163 0.083 19 0 "[ . 1 . 2]" 1 69 TYR 0.459 0.088 12 0 "[ . 1 . 2]" 1 70 PRO 0.002 0.002 8 0 "[ . 1 . 2]" 1 71 PHE 0.071 0.037 10 0 "[ . 1 . 2]" 1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]" 1 73 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 74 LEU 0.107 0.025 13 0 "[ . 1 . 2]" 1 75 LYS 0.156 0.047 15 0 "[ . 1 . 2]" 1 76 PRO 0.738 0.178 18 0 "[ . 1 . 2]" 1 77 ASN 0.822 0.178 18 0 "[ . 1 . 2]" 1 78 LEU 0.196 0.069 20 0 "[ . 1 . 2]" 1 79 HIS 0.030 0.030 16 0 "[ . 1 . 2]" 1 80 VAL 0.516 0.179 16 0 "[ . 1 . 2]" 1 81 ALA 0.256 0.077 12 0 "[ . 1 . 2]" 1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2]" 1 83 ILE 0.384 0.095 11 0 "[ . 1 . 2]" 1 84 VAL 0.458 0.087 2 0 "[ . 1 . 2]" 1 85 GLU 0.194 0.061 2 0 "[ . 1 . 2]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 22 CYS H 1 29 LEU H . . 4.320 4.125 3.830 4.330 0.010 11 0 "[ . 1 . 2]" 2 2 1 21 THR HA 1 22 CYS H . . 2.950 2.280 2.197 2.382 . 0 0 "[ . 1 . 2]" 2 3 1 22 CYS H 1 26 LEU HA . . 4.080 3.770 3.462 4.067 . 0 0 "[ . 1 . 2]" 2 4 1 22 CYS H 1 22 CYS HB3 . . 2.960 2.750 2.550 2.891 . 0 0 "[ . 1 . 2]" 2 5 1 22 CYS H 1 29 LEU HG . . 4.330 2.526 2.202 2.914 . 0 0 "[ . 1 . 2]" 2 6 1 22 CYS H 1 29 LEU HA . . 4.690 4.450 4.210 4.700 0.010 7 0 "[ . 1 . 2]" 2 7 1 22 CYS H 1 22 CYS HB2 . . 3.370 2.343 2.230 2.518 . 0 0 "[ . 1 . 2]" 2 8 1 22 CYS H 1 29 LEU MD2 . . 3.990 2.811 2.430 3.195 . 0 0 "[ . 1 . 2]" 2 9 1 33 VAL H 1 40 SER HA . . 4.680 3.712 3.488 4.103 . 0 0 "[ . 1 . 2]" 2 10 1 32 PRO HA 1 33 VAL H . . 3.040 2.362 2.214 2.559 . 0 0 "[ . 1 . 2]" 2 11 1 32 PRO HB3 1 33 VAL H . . 4.210 3.516 3.279 3.772 . 0 0 "[ . 1 . 2]" 2 12 1 32 PRO HB2 1 33 VAL H . . 3.940 2.725 2.244 3.178 . 0 0 "[ . 1 . 2]" 2 13 1 33 VAL H 1 33 VAL MG2 . . 3.190 2.114 1.963 2.290 . 0 0 "[ . 1 . 2]" 2 14 1 33 VAL H 1 42 CYS HA . . 4.870 4.674 4.495 4.835 . 0 0 "[ . 1 . 2]" 2 15 1 62 CYS H 1 67 VAL MG1 . . 5.500 3.916 3.234 5.098 . 0 0 "[ . 1 . 2]" 2 16 1 62 CYS H 1 67 VAL MG2 . . 5.500 5.014 4.494 5.430 . 0 0 "[ . 1 . 2]" 2 17 1 61 ASN HB3 1 62 CYS H . . 4.770 3.539 2.793 4.044 . 0 0 "[ . 1 . 2]" 2 18 1 33 VAL H 1 40 SER QB . . 4.800 3.206 2.809 4.184 . 0 0 "[ . 1 . 2]" 2 19 1 21 THR H 1 22 CYS H . . 4.840 4.605 4.480 4.647 . 0 0 "[ . 1 . 2]" 2 20 1 62 CYS H 1 67 VAL H . . 4.390 2.343 2.075 2.924 . 0 0 "[ . 1 . 2]" 2 21 1 62 CYS H 1 69 TYR QD . . 3.860 3.729 3.421 3.948 0.088 12 0 "[ . 1 . 2]" 2 22 1 62 CYS H 1 69 TYR QE . . 4.610 3.407 2.986 3.673 . 0 0 "[ . 1 . 2]" 2 23 1 62 CYS H 1 68 PRO HA . . 4.820 4.637 4.431 4.781 . 0 0 "[ . 1 . 2]" 2 24 1 61 ASN HA 1 62 CYS H . . 3.120 2.226 2.172 2.344 . 0 0 "[ . 1 . 2]" 2 25 1 62 CYS H 1 66 ARG HA . . 4.430 2.294 2.069 2.508 . 0 0 "[ . 1 . 2]" 2 26 1 62 CYS H 1 62 CYS HB2 . . 3.310 2.565 2.332 2.709 . 0 0 "[ . 1 . 2]" 2 27 1 61 ASN HB2 1 62 CYS H . . 4.770 3.463 2.626 4.284 . 0 0 "[ . 1 . 2]" 2 28 1 20 VAL HB 1 21 THR H . . 4.480 3.931 3.592 4.409 . 0 0 "[ . 1 . 2]" 2 29 1 21 THR H 1 21 THR HB . . 3.480 2.729 2.623 2.988 . 0 0 "[ . 1 . 2]" 2 30 1 20 VAL MG2 1 21 THR H . . 3.360 2.398 1.880 3.393 0.033 20 0 "[ . 1 . 2]" 2 31 1 61 ASN H 1 62 CYS H . . 4.750 4.499 4.306 4.609 . 0 0 "[ . 1 . 2]" 2 32 1 54 ARG HA 1 61 ASN H . . 4.620 3.919 2.843 4.621 0.001 13 0 "[ . 1 . 2]" 2 33 1 40 SER H 1 41 PHE H . . 4.750 4.512 4.472 4.558 . 0 0 "[ . 1 . 2]" 2 34 1 39 HIS HD2 1 40 SER H . . 4.400 4.266 4.163 4.414 0.014 9 0 "[ . 1 . 2]" 2 35 1 39 HIS HA 1 40 SER H . . 2.920 2.145 2.139 2.161 . 0 0 "[ . 1 . 2]" 2 36 1 40 SER H 1 40 SER QB . . 3.400 2.738 2.262 2.996 . 0 0 "[ . 1 . 2]" 2 37 1 39 HIS HB2 1 40 SER H . . 4.530 4.331 4.230 4.417 . 0 0 "[ . 1 . 2]" 2 38 1 39 HIS HB3 1 40 SER H . . 3.940 3.426 3.232 3.646 . 0 0 "[ . 1 . 2]" 2 39 1 61 ASN H 1 69 TYR QE . . 4.630 4.377 3.707 4.645 0.015 11 0 "[ . 1 . 2]" 2 40 1 60 GLY HA3 1 61 ASN H . . 3.460 2.789 2.216 3.200 . 0 0 "[ . 1 . 2]" 2 41 1 60 GLY HA2 1 61 ASN H . . 3.460 2.401 2.143 3.000 . 0 0 "[ . 1 . 2]" 2 42 1 61 ASN H 1 61 ASN HB3 . . 4.030 3.316 2.696 3.789 . 0 0 "[ . 1 . 2]" 2 43 1 61 ASN H 1 61 ASN HB2 . . 4.030 3.140 2.259 3.924 . 0 0 "[ . 1 . 2]" 2 44 1 51 GLU H 1 51 GLU HG3 . . 4.030 2.918 1.988 3.654 . 0 0 "[ . 1 . 2]" 2 45 1 51 GLU H 1 52 SER H . . 3.730 2.902 2.631 3.105 . 0 0 "[ . 1 . 2]" 2 46 1 47 THR HA 1 51 GLU H . . 4.900 4.167 3.472 4.594 . 0 0 "[ . 1 . 2]" 2 47 1 51 GLU H 1 51 GLU HG2 . . 4.030 2.682 1.939 3.756 . 0 0 "[ . 1 . 2]" 2 48 1 51 GLU H 1 51 GLU HB3 . . 3.740 3.550 2.606 3.633 . 0 0 "[ . 1 . 2]" 2 49 1 49 ASN HA 1 53 ASN HD22 . . 4.800 3.984 2.488 4.782 . 0 0 "[ . 1 . 2]" 2 50 1 49 ASN HA 1 53 ASN HD21 . . 4.800 3.809 2.859 4.686 . 0 0 "[ . 1 . 2]" 2 51 1 52 SER QB 1 53 ASN HD21 . . 4.440 2.981 2.253 4.440 . 0 0 "[ . 1 . 2]" 2 52 1 37 CYS H 1 38 ASN H . . 3.080 3.086 2.963 3.136 0.056 10 0 "[ . 1 . 2]" 2 53 1 36 ASP H 1 37 CYS H . . 3.510 2.768 2.659 2.841 . 0 0 "[ . 1 . 2]" 2 54 1 37 CYS H 1 37 CYS HB3 . . 3.800 2.873 2.779 2.952 . 0 0 "[ . 1 . 2]" 2 55 1 37 CYS H 1 37 CYS HB2 . . 3.800 3.607 3.575 3.618 . 0 0 "[ . 1 . 2]" 2 56 1 35 ALA MB 1 37 CYS H . . 3.430 2.593 2.363 2.759 . 0 0 "[ . 1 . 2]" 2 57 1 80 VAL HB 1 81 ALA H . . 4.510 4.081 1.893 4.549 0.039 20 0 "[ . 1 . 2]" 2 58 1 81 ALA H 1 81 ALA MB . . 3.380 2.398 2.029 2.739 . 0 0 "[ . 1 . 2]" 2 59 1 80 VAL MG1 1 81 ALA H . . 5.090 3.800 2.438 4.361 . 0 0 "[ . 1 . 2]" 2 60 1 80 VAL MG2 1 81 ALA H . . 5.090 3.721 2.496 4.239 . 0 0 "[ . 1 . 2]" 2 61 1 80 VAL HA 1 81 ALA H . . 3.140 2.358 2.141 2.939 . 0 0 "[ . 1 . 2]" 2 62 1 55 ASN QB 1 55 ASN HD22 . . 3.760 3.243 3.213 3.382 . 0 0 "[ . 1 . 2]" 2 63 1 30 LYS H 1 31 GLU H . . 4.880 4.339 4.232 4.538 . 0 0 "[ . 1 . 2]" 2 64 1 30 LYS H 1 42 CYS HB2 . . 5.190 4.676 4.445 4.911 . 0 0 "[ . 1 . 2]" 2 65 1 29 LEU HA 1 30 LYS H . . 2.940 2.143 2.138 2.156 . 0 0 "[ . 1 . 2]" 2 66 1 30 LYS H 1 42 CYS HA . . 3.970 3.170 2.932 3.526 . 0 0 "[ . 1 . 2]" 2 67 1 30 LYS H 1 42 CYS HB3 . . 4.160 3.331 3.093 3.600 . 0 0 "[ . 1 . 2]" 2 68 1 30 LYS H 1 30 LYS HB2 . . 3.930 2.583 2.261 3.670 . 0 0 "[ . 1 . 2]" 2 69 1 30 LYS H 1 30 LYS HB3 . . 3.930 3.261 2.483 3.707 . 0 0 "[ . 1 . 2]" 2 70 1 30 LYS H 1 30 LYS HG2 . . 4.720 3.869 2.517 4.735 0.015 16 0 "[ . 1 . 2]" 2 71 1 29 LEU MD2 1 30 LYS H . . 4.080 3.803 3.591 3.964 . 0 0 "[ . 1 . 2]" 2 72 1 35 ALA MB 1 38 ASN H . . 4.490 4.136 3.998 4.266 . 0 0 "[ . 1 . 2]" 2 73 1 38 ASN H 1 39 HIS H . . 3.540 2.988 2.886 3.073 . 0 0 "[ . 1 . 2]" 2 74 1 38 ASN H 1 38 ASN HA . . 2.740 2.307 2.292 2.315 . 0 0 "[ . 1 . 2]" 2 75 1 38 ASN H 1 38 ASN QB . . 3.550 2.970 2.710 3.269 . 0 0 "[ . 1 . 2]" 2 76 1 43 ARG H 1 44 ALA H . . 4.010 3.031 3.010 3.074 . 0 0 "[ . 1 . 2]" 2 77 1 33 VAL H 1 43 ARG H . . 4.590 4.473 4.227 4.606 0.016 8 0 "[ . 1 . 2]" 2 78 1 32 PRO HA 1 43 ARG H . . 4.070 2.579 2.280 2.946 . 0 0 "[ . 1 . 2]" 2 79 1 42 CYS HA 1 43 ARG H . . 3.020 2.148 2.140 2.154 . 0 0 "[ . 1 . 2]" 2 80 1 42 CYS HB3 1 43 ARG H . . 4.020 3.343 3.281 3.453 . 0 0 "[ . 1 . 2]" 2 81 1 43 ARG H 1 43 ARG HB2 . . 3.280 2.363 2.177 2.521 . 0 0 "[ . 1 . 2]" 2 82 1 31 GLU HB2 1 43 ARG H . . 4.990 4.144 3.485 4.923 . 0 0 "[ . 1 . 2]" 2 83 1 43 ARG H 1 43 ARG HB3 . . 3.380 2.820 2.619 3.090 . 0 0 "[ . 1 . 2]" 2 84 1 43 ARG H 1 43 ARG HG2 . . 5.130 4.622 4.037 4.684 . 0 0 "[ . 1 . 2]" 2 85 1 43 ARG H 1 44 ALA MB . . 5.500 4.679 4.631 4.737 . 0 0 "[ . 1 . 2]" 2 86 1 33 VAL MG1 1 43 ARG H . . 4.560 4.301 3.917 4.601 0.041 13 0 "[ . 1 . 2]" 2 87 1 42 CYS HB2 1 43 ARG H . . 4.450 4.143 4.090 4.234 . 0 0 "[ . 1 . 2]" 2 88 1 43 ARG H 1 43 ARG HG3 . . 5.130 4.357 3.979 4.528 . 0 0 "[ . 1 . 2]" 2 89 1 16 ILE HA 1 17 LYS H . . 2.910 2.211 2.141 2.355 . 0 0 "[ . 1 . 2]" 2 90 1 17 LYS H 1 17 LYS HB2 . . 3.650 2.422 2.212 2.851 . 0 0 "[ . 1 . 2]" 2 91 1 16 ILE MG 1 17 LYS H . . 3.850 2.995 1.906 3.577 . 0 0 "[ . 1 . 2]" 2 92 1 34 SER H 1 75 LYS H . . 3.740 3.601 3.130 3.750 0.010 18 0 "[ . 1 . 2]" 2 93 1 34 SER H 1 35 ALA H . . 5.500 4.623 4.601 4.634 . 0 0 "[ . 1 . 2]" 2 94 1 34 SER H 1 77 ASN H . . 5.500 3.820 3.150 4.813 . 0 0 "[ . 1 . 2]" 2 95 1 33 VAL HA 1 34 SER H . . 3.360 2.148 2.140 2.188 . 0 0 "[ . 1 . 2]" 2 96 1 34 SER H 1 35 ALA MB . . 5.500 5.420 5.368 5.488 . 0 0 "[ . 1 . 2]" 2 97 1 33 VAL MG1 1 34 SER H . . 4.160 3.965 3.839 4.092 . 0 0 "[ . 1 . 2]" 2 98 1 34 SER H 1 76 PRO HA . . 5.390 4.322 3.713 5.219 . 0 0 "[ . 1 . 2]" 2 99 1 34 SER H 1 77 ASN HA . . 5.500 4.502 3.815 5.217 . 0 0 "[ . 1 . 2]" 2 100 1 34 SER H 1 74 LEU HA . . 5.170 5.093 4.833 5.188 0.018 14 0 "[ . 1 . 2]" 2 101 1 33 VAL HB 1 34 SER H . . 3.530 3.330 3.029 3.512 . 0 0 "[ . 1 . 2]" 2 102 1 49 ASN HA 1 49 ASN HD21 . . 4.380 3.062 2.520 4.047 . 0 0 "[ . 1 . 2]" 2 103 1 49 ASN HA 1 49 ASN HD22 . . 4.380 3.874 3.569 4.306 . 0 0 "[ . 1 . 2]" 2 104 1 83 ILE HA 1 84 VAL H . . 3.370 2.631 2.143 3.457 0.087 2 0 "[ . 1 . 2]" 2 105 1 84 VAL H 1 84 VAL HB . . 4.000 3.440 2.468 3.933 . 0 0 "[ . 1 . 2]" 2 106 1 83 ILE HB 1 84 VAL H . . 4.390 3.810 2.886 4.443 0.053 3 0 "[ . 1 . 2]" 2 107 1 84 VAL H 1 84 VAL MG1 . . 4.230 3.150 2.207 4.025 . 0 0 "[ . 1 . 2]" 2 108 1 62 CYS HB3 1 67 VAL H . . 3.740 1.960 1.880 2.315 . 0 0 "[ . 1 . 2]" 2 109 1 67 VAL H 1 67 VAL HB . . 3.310 2.694 2.476 2.915 . 0 0 "[ . 1 . 2]" 2 110 1 67 VAL H 1 67 VAL MG1 . . 4.020 2.641 1.945 3.826 . 0 0 "[ . 1 . 2]" 2 111 1 41 PHE H 1 42 CYS H . . 4.860 4.388 4.340 4.424 . 0 0 "[ . 1 . 2]" 2 112 1 42 CYS H 1 43 ARG H . . 5.260 4.528 4.495 4.546 . 0 0 "[ . 1 . 2]" 2 113 1 42 CYS H 1 46 ILE H . . 4.850 4.074 3.816 4.250 . 0 0 "[ . 1 . 2]" 2 114 1 41 PHE HA 1 42 CYS H . . 3.120 2.337 2.254 2.414 . 0 0 "[ . 1 . 2]" 2 115 1 23 PRO HD2 1 42 CYS H . . 5.180 4.857 4.733 5.044 . 0 0 "[ . 1 . 2]" 2 116 1 42 CYS H 1 42 CYS HB3 . . 3.720 3.582 3.570 3.589 . 0 0 "[ . 1 . 2]" 2 117 1 42 CYS H 1 42 CYS HB2 . . 3.600 2.730 2.647 2.800 . 0 0 "[ . 1 . 2]" 2 118 1 41 PHE HB3 1 42 CYS H . . 3.570 2.725 2.535 2.962 . 0 0 "[ . 1 . 2]" 2 119 1 22 CYS HB2 1 42 CYS H . . 3.770 3.658 3.340 3.797 0.027 14 0 "[ . 1 . 2]" 2 120 1 42 CYS H 1 45 CYS HB3 . . 4.400 4.039 3.831 4.244 . 0 0 "[ . 1 . 2]" 2 121 1 42 CYS H 1 45 CYS HB2 . . 4.400 2.818 2.658 2.964 . 0 0 "[ . 1 . 2]" 2 122 1 41 PHE HB2 1 42 CYS H . . 3.900 3.444 3.251 3.651 . 0 0 "[ . 1 . 2]" 2 123 1 29 LEU MD2 1 42 CYS H . . 3.320 2.524 2.158 2.756 . 0 0 "[ . 1 . 2]" 2 124 1 41 PHE QD 1 42 CYS H . . 4.760 4.368 4.221 4.526 . 0 0 "[ . 1 . 2]" 2 125 1 12 VAL HA 1 13 LEU H . . 3.160 2.349 2.142 2.921 . 0 0 "[ . 1 . 2]" 2 126 1 12 VAL HB 1 13 LEU H . . 4.150 3.370 2.038 4.234 0.084 5 0 "[ . 1 . 2]" 2 127 1 12 VAL MG1 1 13 LEU H . . 4.810 3.309 2.045 4.126 . 0 0 "[ . 1 . 2]" 2 128 1 12 VAL MG2 1 13 LEU H . . 4.810 3.510 1.912 4.265 . 0 0 "[ . 1 . 2]" 2 129 1 34 SER HA 1 35 ALA H . . 3.130 2.343 2.246 2.461 . 0 0 "[ . 1 . 2]" 2 130 1 35 ALA H 1 41 PHE QE . . 5.020 4.854 4.599 5.027 0.007 3 0 "[ . 1 . 2]" 2 131 1 35 ALA H 1 40 SER HA . . 4.500 3.873 3.554 4.049 . 0 0 "[ . 1 . 2]" 2 132 1 35 ALA H 1 74 LEU MD2 . . 4.730 4.169 3.911 4.373 . 0 0 "[ . 1 . 2]" 2 133 1 48 LEU HA 1 52 SER H . . 5.010 4.226 3.417 4.917 . 0 0 "[ . 1 . 2]" 2 134 1 49 ASN HA 1 52 SER H . . 5.290 3.823 3.388 4.134 . 0 0 "[ . 1 . 2]" 2 135 1 52 SER H 1 52 SER QB . . 3.450 2.304 2.159 2.618 . 0 0 "[ . 1 . 2]" 2 136 1 51 GLU HB3 1 52 SER H . . 4.570 3.496 3.108 4.155 . 0 0 "[ . 1 . 2]" 2 137 1 33 VAL HA 1 75 LYS H . . 4.760 4.554 4.018 4.785 0.025 6 0 "[ . 1 . 2]" 2 138 1 74 LEU HA 1 75 LYS H . . 2.840 2.175 2.140 2.260 . 0 0 "[ . 1 . 2]" 2 139 1 75 LYS H 1 75 LYS QB . . 3.350 2.528 2.306 2.816 . 0 0 "[ . 1 . 2]" 2 140 1 75 LYS H 1 75 LYS QD . . 4.540 3.956 1.994 4.517 . 0 0 "[ . 1 . 2]" 2 141 1 75 LYS H 1 75 LYS QG . . 3.630 2.549 1.919 3.120 . 0 0 "[ . 1 . 2]" 2 142 1 74 LEU MD2 1 75 LYS H . . 3.980 3.717 3.427 3.951 . 0 0 "[ . 1 . 2]" 2 143 1 77 ASN HB3 1 78 LEU H . . 4.560 4.236 3.494 4.499 . 0 0 "[ . 1 . 2]" 2 144 1 77 ASN HA 1 78 LEU H . . 3.100 2.440 2.141 3.137 0.037 15 0 "[ . 1 . 2]" 2 145 1 77 ASN HB2 1 78 LEU H . . 4.560 4.484 4.209 4.629 0.069 20 0 "[ . 1 . 2]" 2 146 1 78 LEU H 1 78 LEU QB . . 3.020 2.636 2.244 3.085 0.065 15 0 "[ . 1 . 2]" 2 147 1 78 LEU H 1 78 LEU MD1 . . 5.020 3.647 2.534 4.376 . 0 0 "[ . 1 . 2]" 2 148 1 78 LEU H 1 78 LEU MD2 . . 5.020 3.181 1.843 4.538 . 0 0 "[ . 1 . 2]" 2 149 1 30 LYS HB3 1 31 GLU H . . 4.770 3.840 3.451 4.365 . 0 0 "[ . 1 . 2]" 2 150 1 30 LYS HA 1 31 GLU H . . 3.140 2.149 2.141 2.197 . 0 0 "[ . 1 . 2]" 2 151 1 31 GLU H 1 31 GLU QG . . 4.270 3.029 2.602 4.255 . 0 0 "[ . 1 . 2]" 2 152 1 40 SER QB 1 77 ASN HD21 . . 4.900 3.296 2.168 4.407 . 0 0 "[ . 1 . 2]" 2 153 1 18 GLU H 1 18 GLU HG2 . . 4.540 3.442 2.049 4.499 . 0 0 "[ . 1 . 2]" 2 154 1 18 GLU H 1 18 GLU HB3 . . 3.750 3.384 2.634 3.719 . 0 0 "[ . 1 . 2]" 2 155 1 18 GLU H 1 18 GLU HB2 . . 3.750 2.785 2.202 3.753 0.003 8 0 "[ . 1 . 2]" 2 156 1 17 LYS HB3 1 18 GLU H . . 4.430 3.965 3.170 4.435 0.005 19 0 "[ . 1 . 2]" 2 157 1 18 GLU H 1 20 VAL MG2 . . 5.370 4.356 1.848 5.376 0.006 11 0 "[ . 1 . 2]" 2 158 1 16 ILE H 1 16 ILE HB . . 3.300 2.537 2.403 2.668 . 0 0 "[ . 1 . 2]" 2 159 1 16 ILE H 1 16 ILE HG12 . . 4.020 3.409 2.061 3.986 . 0 0 "[ . 1 . 2]" 2 160 1 16 ILE H 1 16 ILE HG13 . . 4.020 2.996 2.021 4.001 . 0 0 "[ . 1 . 2]" 2 161 1 15 MET HA 1 16 ILE H . . 2.940 2.286 2.140 2.844 . 0 0 "[ . 1 . 2]" 2 162 1 16 ILE H 1 16 ILE MG . . 3.890 3.784 3.739 3.838 . 0 0 "[ . 1 . 2]" 2 163 1 63 PRO HD2 1 64 VAL H . . 4.140 3.163 3.097 3.262 . 0 0 "[ . 1 . 2]" 2 164 1 64 VAL H 1 64 VAL HB . . 3.750 2.701 2.589 3.758 0.008 13 0 "[ . 1 . 2]" 2 165 1 11 SER HA 1 12 VAL H . . 3.320 2.258 2.138 2.762 . 0 0 "[ . 1 . 2]" 2 166 1 11 SER QB 1 12 VAL H . . 4.450 3.402 2.246 4.026 . 0 0 "[ . 1 . 2]" 2 167 1 12 VAL H 1 12 VAL HB . . 3.790 3.269 2.541 3.790 0.000 15 0 "[ . 1 . 2]" 2 168 1 12 VAL H 1 12 VAL MG1 . . 4.340 3.078 2.064 3.939 . 0 0 "[ . 1 . 2]" 2 169 1 23 PRO HD2 1 24 ILE H . . 4.040 3.090 3.046 3.149 . 0 0 "[ . 1 . 2]" 2 170 1 24 ILE H 1 41 PHE QD . . 4.740 4.301 4.089 4.525 . 0 0 "[ . 1 . 2]" 2 171 1 33 VAL HA 1 77 ASN H . . 3.740 2.805 2.190 3.660 . 0 0 "[ . 1 . 2]" 2 172 1 76 PRO HA 1 77 ASN H . . 3.120 2.286 2.152 3.298 0.178 18 0 "[ . 1 . 2]" 2 173 1 77 ASN H 1 77 ASN HB3 . . 3.840 2.847 2.379 3.783 . 0 0 "[ . 1 . 2]" 2 174 1 77 ASN H 1 77 ASN HB2 . . 3.840 2.707 2.253 3.098 . 0 0 "[ . 1 . 2]" 2 175 1 76 PRO HB3 1 77 ASN H . . 4.350 4.075 3.743 4.508 0.158 16 0 "[ . 1 . 2]" 2 176 1 76 PRO HB2 1 77 ASN H . . 4.350 3.604 3.130 3.972 . 0 0 "[ . 1 . 2]" 2 177 1 33 VAL MG1 1 77 ASN H . . 4.190 3.385 2.452 4.133 . 0 0 "[ . 1 . 2]" 2 178 1 22 CYS HB3 1 24 ILE H . . 4.600 3.186 3.009 3.366 . 0 0 "[ . 1 . 2]" 2 179 1 24 ILE H 1 24 ILE HB . . 3.320 2.553 2.489 2.650 . 0 0 "[ . 1 . 2]" 2 180 1 24 ILE H 1 24 ILE HG13 . . 3.640 2.784 2.627 2.920 . 0 0 "[ . 1 . 2]" 2 181 1 23 PRO HG2 1 24 ILE H . . 4.200 3.431 3.374 3.508 . 0 0 "[ . 1 . 2]" 2 182 1 82 ASN HB3 1 83 ILE H . . 4.750 3.271 2.095 4.388 . 0 0 "[ . 1 . 2]" 2 183 1 83 ILE H 1 83 ILE HB . . 3.830 3.183 2.491 3.925 0.095 11 0 "[ . 1 . 2]" 2 184 1 83 ILE H 1 83 ILE HG12 . . 4.220 2.763 2.013 3.567 . 0 0 "[ . 1 . 2]" 2 185 1 83 ILE H 1 83 ILE HG13 . . 4.220 3.123 1.849 4.178 . 0 0 "[ . 1 . 2]" 2 186 1 83 ILE H 1 83 ILE MG . . 4.540 3.235 1.857 3.945 . 0 0 "[ . 1 . 2]" 2 187 1 83 ILE H 1 83 ILE MD . . 5.060 3.456 1.758 4.635 . 0 0 "[ . 1 . 2]" 2 188 1 43 ARG HB2 1 44 ALA H . . 4.540 3.788 3.573 3.936 . 0 0 "[ . 1 . 2]" 2 189 1 44 ALA H 1 45 CYS H . . 4.270 2.703 2.586 2.801 . 0 0 "[ . 1 . 2]" 2 190 1 42 CYS HB3 1 44 ALA H . . 4.240 3.080 2.949 3.285 . 0 0 "[ . 1 . 2]" 2 191 1 42 CYS HB2 1 44 ALA H . . 4.670 3.496 3.379 3.632 . 0 0 "[ . 1 . 2]" 2 192 1 43 ARG HB3 1 44 ALA H . . 3.930 2.604 2.456 2.700 . 0 0 "[ . 1 . 2]" 2 193 1 82 ASN HB2 1 83 ILE H . . 4.750 3.282 2.078 4.659 . 0 0 "[ . 1 . 2]" 2 194 1 55 ASN H 1 59 LYS H . . 4.930 4.294 2.498 4.900 . 0 0 "[ . 1 . 2]" 2 195 1 55 ASN QB 1 59 LYS H . . 5.010 3.580 1.896 5.023 0.013 14 0 "[ . 1 . 2]" 2 196 1 59 LYS H 1 59 LYS HB3 . . 3.680 3.597 3.523 3.691 0.011 19 0 "[ . 1 . 2]" 2 197 1 59 LYS H 1 59 LYS HB2 . . 3.680 2.425 2.235 2.668 . 0 0 "[ . 1 . 2]" 2 198 1 59 LYS H 1 59 LYS HG3 . . 4.040 3.046 2.072 3.964 . 0 0 "[ . 1 . 2]" 2 199 1 59 LYS H 1 59 LYS HG2 . . 4.040 3.136 1.952 4.007 . 0 0 "[ . 1 . 2]" 2 200 1 50 TYR QE 1 59 LYS H . . 5.340 4.839 3.592 5.296 . 0 0 "[ . 1 . 2]" 2 201 1 57 ASP HA 1 59 LYS H . . 5.500 5.062 4.147 5.487 . 0 0 "[ . 1 . 2]" 2 202 1 19 GLU H 1 20 VAL H . . 3.770 2.201 1.867 2.931 . 0 0 "[ . 1 . 2]" 2 203 1 18 GLU HA 1 19 GLU H . . 3.230 2.765 2.307 2.952 . 0 0 "[ . 1 . 2]" 2 204 1 19 GLU H 1 19 GLU HG2 . . 4.530 3.844 2.542 4.525 . 0 0 "[ . 1 . 2]" 2 205 1 19 GLU H 1 20 VAL MG2 . . 4.560 3.324 3.016 3.935 . 0 0 "[ . 1 . 2]" 2 206 1 47 THR MG 1 48 LEU H . . 4.020 3.187 2.963 3.451 . 0 0 "[ . 1 . 2]" 2 207 1 47 THR H 1 48 LEU H . . 3.470 2.746 2.539 2.981 . 0 0 "[ . 1 . 2]" 2 208 1 47 THR HG1 1 48 LEU H . . 4.730 4.158 3.884 4.687 . 0 0 "[ . 1 . 2]" 2 209 1 47 THR HB 1 48 LEU H . . 3.440 2.226 2.033 2.573 . 0 0 "[ . 1 . 2]" 2 210 1 48 LEU H 1 48 LEU QB . . 2.980 2.211 2.088 2.438 . 0 0 "[ . 1 . 2]" 2 211 1 48 LEU H 1 48 LEU MD2 . . 4.670 3.744 1.896 4.325 . 0 0 "[ . 1 . 2]" 2 212 1 13 LEU HA 1 14 GLU H . . 3.230 2.376 2.145 2.947 . 0 0 "[ . 1 . 2]" 2 213 1 15 MET H 1 15 MET HG2 . . 4.440 3.135 1.899 4.536 0.096 9 0 "[ . 1 . 2]" 2 214 1 15 MET H 1 15 MET HG3 . . 4.440 3.333 1.946 4.514 0.074 8 0 "[ . 1 . 2]" 2 215 1 14 GLU H 1 14 GLU QG . . 4.110 3.290 2.080 4.108 . 0 0 "[ . 1 . 2]" 2 216 1 14 GLU QG 1 15 MET H . . 4.600 3.619 1.979 4.453 . 0 0 "[ . 1 . 2]" 2 217 1 14 GLU HB2 1 15 MET H . . 4.670 3.806 2.332 4.475 . 0 0 "[ . 1 . 2]" 2 218 1 13 LEU HG 1 14 GLU H . . 4.810 4.174 2.656 4.850 0.040 11 0 "[ . 1 . 2]" 2 219 1 79 HIS HA 1 80 VAL H . . 3.340 2.631 2.142 3.370 0.030 16 0 "[ . 1 . 2]" 2 220 1 80 VAL H 1 80 VAL HB . . 3.690 3.275 2.503 3.869 0.179 16 0 "[ . 1 . 2]" 2 221 1 55 ASN H 1 58 GLY H . . 4.920 3.802 3.257 4.203 . 0 0 "[ . 1 . 2]" 2 222 1 54 ARG HA 1 55 ASN H . . 2.940 2.390 2.166 2.581 . 0 0 "[ . 1 . 2]" 2 223 1 55 ASN H 1 55 ASN QB . . 3.400 2.534 2.203 3.177 . 0 0 "[ . 1 . 2]" 2 224 1 54 ARG QG 1 55 ASN H . . 4.160 3.419 2.057 4.165 0.005 3 0 "[ . 1 . 2]" 2 225 1 50 TYR HA 1 53 ASN H . . 4.750 3.507 2.831 4.209 . 0 0 "[ . 1 . 2]" 2 226 1 53 ASN H 1 53 ASN HB3 . . 4.100 3.570 3.157 3.865 . 0 0 "[ . 1 . 2]" 2 227 1 53 ASN H 1 53 ASN HB2 . . 4.100 2.894 2.226 3.677 . 0 0 "[ . 1 . 2]" 2 228 1 74 LEU H 1 74 LEU HG . . 3.920 2.395 1.880 2.857 . 0 0 "[ . 1 . 2]" 2 229 1 50 TYR H 1 51 GLU H . . 3.850 2.832 2.656 3.060 . 0 0 "[ . 1 . 2]" 2 230 1 50 TYR H 1 50 TYR QD . . 4.670 4.077 3.902 4.207 . 0 0 "[ . 1 . 2]" 2 231 1 50 TYR H 1 50 TYR HB3 . . 3.730 2.285 2.188 2.535 . 0 0 "[ . 1 . 2]" 2 232 1 50 TYR H 1 50 TYR HB2 . . 3.730 2.822 2.554 2.995 . 0 0 "[ . 1 . 2]" 2 233 1 49 ASN HB3 1 50 TYR H . . 4.270 2.531 2.253 3.251 . 0 0 "[ . 1 . 2]" 2 234 1 49 ASN HB2 1 50 TYR H . . 4.270 3.580 2.794 3.864 . 0 0 "[ . 1 . 2]" 2 235 1 60 GLY H 1 69 TYR H . . 3.940 3.362 2.633 3.939 . 0 0 "[ . 1 . 2]" 2 236 1 60 GLY H 1 69 TYR QD . . 5.190 4.443 3.776 5.021 . 0 0 "[ . 1 . 2]" 2 237 1 60 GLY H 1 69 TYR QE . . 5.450 4.541 4.004 5.124 . 0 0 "[ . 1 . 2]" 2 238 1 59 LYS HB3 1 60 GLY H . . 4.240 2.536 2.007 3.209 . 0 0 "[ . 1 . 2]" 2 239 1 50 TYR QD 1 60 GLY H . . 4.780 4.036 3.415 4.752 . 0 0 "[ . 1 . 2]" 2 240 1 59 LYS HB2 1 60 GLY H . . 4.240 3.773 3.275 4.235 . 0 0 "[ . 1 . 2]" 2 241 1 46 ILE H 1 47 THR H . . 3.500 2.869 2.680 2.978 . 0 0 "[ . 1 . 2]" 2 242 1 47 THR H 1 47 THR HG1 . . 3.240 2.666 2.001 3.212 . 0 0 "[ . 1 . 2]" 2 243 1 47 THR H 1 47 THR HB . . 3.290 2.550 2.480 2.624 . 0 0 "[ . 1 . 2]" 2 244 1 44 ALA MB 1 47 THR H . . 4.760 4.455 4.339 4.765 0.005 6 0 "[ . 1 . 2]" 2 245 1 47 THR H 1 47 THR MG . . 3.970 3.772 3.762 3.785 . 0 0 "[ . 1 . 2]" 2 246 1 46 ILE HB 1 47 THR H . . 4.800 3.929 3.695 4.036 . 0 0 "[ . 1 . 2]" 2 247 1 46 ILE MG 1 47 THR H . . 3.360 1.956 1.861 2.120 . 0 0 "[ . 1 . 2]" 2 248 1 47 THR H 1 48 LEU QB . . 4.870 4.422 4.216 4.742 . 0 0 "[ . 1 . 2]" 2 249 1 29 LEU H 1 30 LYS H . . 4.560 4.458 4.363 4.522 . 0 0 "[ . 1 . 2]" 2 250 1 21 THR HA 1 29 LEU H . . 4.170 4.044 3.819 4.179 0.009 7 0 "[ . 1 . 2]" 2 251 1 28 LEU HA 1 29 LEU H . . 2.960 2.142 2.139 2.158 . 0 0 "[ . 1 . 2]" 2 252 1 28 LEU HB3 1 29 LEU H . . 3.960 3.548 3.323 3.996 0.036 12 0 "[ . 1 . 2]" 2 253 1 29 LEU H 1 29 LEU HG . . 3.210 2.394 2.040 2.701 . 0 0 "[ . 1 . 2]" 2 254 1 21 THR MG 1 29 LEU H . . 4.580 4.101 3.750 4.437 . 0 0 "[ . 1 . 2]" 2 255 1 28 LEU MD1 1 29 LEU H . . 5.100 4.343 2.779 5.121 0.021 13 0 "[ . 1 . 2]" 2 256 1 28 LEU MD2 1 29 LEU H . . 4.260 3.444 2.049 4.265 0.005 17 0 "[ . 1 . 2]" 2 257 1 29 LEU H 1 29 LEU MD2 . . 4.580 3.807 3.561 3.988 . 0 0 "[ . 1 . 2]" 2 258 1 29 LEU H 1 29 LEU MD1 . . 4.050 3.124 3.006 3.215 . 0 0 "[ . 1 . 2]" 2 259 1 22 CYS H 1 27 GLU H . . 4.130 3.154 2.776 3.514 . 0 0 "[ . 1 . 2]" 2 260 1 26 LEU H 1 27 GLU H . . 3.340 2.683 2.589 2.780 . 0 0 "[ . 1 . 2]" 2 261 1 22 CYS HB3 1 27 GLU H . . 3.570 2.371 2.190 2.589 . 0 0 "[ . 1 . 2]" 2 262 1 22 CYS HB2 1 27 GLU H . . 3.960 3.377 3.191 3.567 . 0 0 "[ . 1 . 2]" 2 263 1 27 GLU H 1 27 GLU HG3 . . 4.390 3.637 3.064 4.405 0.015 5 0 "[ . 1 . 2]" 2 264 1 78 LEU QB 1 79 HIS H . . 4.690 3.088 2.182 3.854 . 0 0 "[ . 1 . 2]" 2 265 1 35 ALA MB 1 39 HIS H . . 4.660 2.761 2.508 3.064 . 0 0 "[ . 1 . 2]" 2 266 1 39 HIS H 1 39 HIS HB2 . . 3.530 2.568 2.434 2.649 . 0 0 "[ . 1 . 2]" 2 267 1 38 ASN QB 1 39 HIS H . . 4.640 3.877 3.770 4.038 . 0 0 "[ . 1 . 2]" 2 268 1 39 HIS H 1 39 HIS HB3 . . 3.970 3.736 3.656 3.786 . 0 0 "[ . 1 . 2]" 2 269 1 36 ASP H 1 36 ASP HB2 . . 4.000 2.460 2.215 2.866 . 0 0 "[ . 1 . 2]" 2 270 1 24 ILE MG 1 49 ASN H . . 5.350 5.001 4.645 5.296 . 0 0 "[ . 1 . 2]" 2 271 1 49 ASN H 1 50 TYR H . . 3.620 2.883 2.479 3.052 . 0 0 "[ . 1 . 2]" 2 272 1 46 ILE HA 1 49 ASN H . . 4.300 4.105 3.630 4.311 0.011 4 0 "[ . 1 . 2]" 2 273 1 49 ASN H 1 49 ASN HB3 . . 3.290 2.857 2.430 3.449 0.159 18 0 "[ . 1 . 2]" 2 274 1 49 ASN H 1 49 ASN HB2 . . 3.290 2.314 2.145 2.668 . 0 0 "[ . 1 . 2]" 2 275 1 24 ILE MD 1 49 ASN H . . 4.760 4.341 4.012 4.604 . 0 0 "[ . 1 . 2]" 2 276 1 56 THR HA 1 58 GLY H . . 4.720 4.512 3.627 4.718 . 0 0 "[ . 1 . 2]" 2 277 1 55 ASN QB 1 58 GLY H . . 4.490 3.151 2.096 4.484 . 0 0 "[ . 1 . 2]" 2 278 1 48 LEU H 1 49 ASN H . . 3.400 2.881 2.598 3.033 . 0 0 "[ . 1 . 2]" 2 279 1 48 LEU QB 1 49 ASN H . . 3.400 2.420 2.074 3.336 . 0 0 "[ . 1 . 2]" 2 280 1 54 ARG H 1 55 ASN H . . 4.560 4.423 3.878 4.611 0.051 14 0 "[ . 1 . 2]" 2 281 1 53 ASN H 1 54 ARG H . . 4.250 3.867 2.501 4.293 0.043 6 0 "[ . 1 . 2]" 2 282 1 53 ASN HB3 1 54 ARG H . . 4.440 4.009 3.441 4.364 . 0 0 "[ . 1 . 2]" 2 283 1 53 ASN HB2 1 54 ARG H . . 4.440 4.106 3.709 4.445 0.005 10 0 "[ . 1 . 2]" 2 284 1 54 ARG H 1 54 ARG QG . . 3.550 2.783 2.223 3.653 0.103 13 0 "[ . 1 . 2]" 2 285 1 45 CYS H 1 46 ILE H . . 3.960 3.195 2.964 3.332 . 0 0 "[ . 1 . 2]" 2 286 1 46 ILE H 1 46 ILE HB . . 3.790 2.467 2.264 2.571 . 0 0 "[ . 1 . 2]" 2 287 1 24 ILE MD 1 46 ILE H . . 4.880 3.893 3.609 4.248 . 0 0 "[ . 1 . 2]" 2 288 1 46 ILE H 1 46 ILE MD . . 5.430 4.170 3.955 4.422 . 0 0 "[ . 1 . 2]" 2 289 1 68 PRO HA 1 69 TYR H . . 3.310 2.194 2.172 2.201 . 0 0 "[ . 1 . 2]" 2 290 1 68 PRO HB3 1 69 TYR H . . 4.460 4.289 4.224 4.305 . 0 0 "[ . 1 . 2]" 2 291 1 69 TYR H 1 69 TYR QD . . 3.730 2.661 2.379 2.900 . 0 0 "[ . 1 . 2]" 2 292 1 61 ASN HA 1 69 TYR H . . 4.180 4.029 3.712 4.201 0.021 20 0 "[ . 1 . 2]" 2 293 1 27 GLU HG2 1 28 LEU H . . 4.630 4.017 3.457 4.656 0.026 14 0 "[ . 1 . 2]" 2 294 1 21 THR MG 1 28 LEU H . . 4.210 3.691 3.503 3.946 . 0 0 "[ . 1 . 2]" 2 295 1 28 LEU H 1 28 LEU MD2 . . 4.090 3.155 1.970 4.148 0.058 12 0 "[ . 1 . 2]" 2 296 1 27 GLU H 1 28 LEU H . . 4.490 4.411 4.377 4.432 . 0 0 "[ . 1 . 2]" 2 297 1 28 LEU H 1 29 LEU H . . 4.690 4.466 4.412 4.532 . 0 0 "[ . 1 . 2]" 2 298 1 27 GLU HA 1 28 LEU H . . 3.120 2.420 2.354 2.534 . 0 0 "[ . 1 . 2]" 2 299 1 28 LEU H 1 28 LEU HG . . 3.940 3.166 2.541 3.935 . 0 0 "[ . 1 . 2]" 2 300 1 28 LEU H 1 28 LEU HB2 . . 3.120 2.295 2.114 2.414 . 0 0 "[ . 1 . 2]" 2 301 1 25 CYS H 1 26 LEU MD2 . . 5.370 4.734 4.318 4.936 . 0 0 "[ . 1 . 2]" 2 302 1 25 CYS H 1 29 LEU MD2 . . 5.500 5.272 5.082 5.517 0.017 11 0 "[ . 1 . 2]" 2 303 1 24 ILE H 1 25 CYS H . . 3.200 2.478 2.391 2.599 . 0 0 "[ . 1 . 2]" 2 304 1 25 CYS H 1 26 LEU HA . . 4.930 4.548 4.460 4.646 . 0 0 "[ . 1 . 2]" 2 305 1 22 CYS HB3 1 25 CYS H . . 3.780 2.832 2.649 3.132 . 0 0 "[ . 1 . 2]" 2 306 1 25 CYS H 1 25 CYS QB . . 3.460 2.699 2.585 2.789 . 0 0 "[ . 1 . 2]" 2 307 1 24 ILE HB 1 25 CYS H . . 3.190 2.096 1.972 2.172 . 0 0 "[ . 1 . 2]" 2 308 1 24 ILE MG 1 25 CYS H . . 3.590 2.877 2.662 3.030 . 0 0 "[ . 1 . 2]" 2 309 1 24 ILE HG13 1 25 CYS H . . 4.470 4.203 4.079 4.283 . 0 0 "[ . 1 . 2]" 2 310 1 24 ILE MD 1 25 CYS H . . 4.600 3.997 3.722 4.181 . 0 0 "[ . 1 . 2]" 2 311 1 64 VAL H 1 65 CYS H . . 3.530 2.249 2.029 2.391 . 0 0 "[ . 1 . 2]" 2 312 1 62 CYS HB3 1 65 CYS H . . 4.210 2.500 1.994 2.685 . 0 0 "[ . 1 . 2]" 2 313 1 64 VAL HB 1 65 CYS H . . 3.330 2.298 2.080 3.338 0.008 13 0 "[ . 1 . 2]" 2 314 1 24 ILE HB 1 26 LEU H . . 4.670 4.145 4.028 4.205 . 0 0 "[ . 1 . 2]" 2 315 1 22 CYS H 1 26 LEU H . . 4.710 4.249 4.003 4.495 . 0 0 "[ . 1 . 2]" 2 316 1 25 CYS H 1 26 LEU H . . 3.090 2.291 2.206 2.395 . 0 0 "[ . 1 . 2]" 2 317 1 23 PRO HA 1 26 LEU H . . 4.650 4.482 4.391 4.591 . 0 0 "[ . 1 . 2]" 2 318 1 26 LEU H 1 26 LEU HA . . 2.780 2.275 2.273 2.278 . 0 0 "[ . 1 . 2]" 2 319 1 25 CYS QB 1 26 LEU H . . 4.330 3.607 3.543 3.700 . 0 0 "[ . 1 . 2]" 2 320 1 26 LEU H 1 26 LEU HG . . 3.900 2.895 2.839 2.992 . 0 0 "[ . 1 . 2]" 2 321 1 24 ILE H 1 26 LEU H . . 4.130 2.891 2.782 2.986 . 0 0 "[ . 1 . 2]" 2 322 1 24 ILE HA 1 26 LEU H . . 4.970 4.561 4.335 4.730 . 0 0 "[ . 1 . 2]" 2 323 1 22 CYS HB3 1 26 LEU H . . 3.740 2.239 2.113 2.528 . 0 0 "[ . 1 . 2]" 2 324 1 84 VAL HA 1 85 GLU H . . 3.420 2.688 2.142 3.481 0.061 2 0 "[ . 1 . 2]" 2 325 1 84 VAL MG1 1 85 GLU H . . 5.270 3.763 2.142 4.358 . 0 0 "[ . 1 . 2]" 2 326 1 84 VAL MG2 1 85 GLU H . . 5.270 3.606 1.936 4.361 . 0 0 "[ . 1 . 2]" 2 327 1 41 PHE H 1 41 PHE QE . . 4.870 4.512 4.367 4.649 . 0 0 "[ . 1 . 2]" 2 328 1 33 VAL H 1 41 PHE H . . 3.580 2.354 2.042 2.684 . 0 0 "[ . 1 . 2]" 2 329 1 41 PHE H 1 41 PHE QD . . 3.570 2.685 2.453 2.904 . 0 0 "[ . 1 . 2]" 2 330 1 40 SER HA 1 41 PHE H . . 2.930 2.274 2.225 2.305 . 0 0 "[ . 1 . 2]" 2 331 1 40 SER QB 1 41 PHE H . . 3.420 2.793 2.635 3.429 0.009 18 0 "[ . 1 . 2]" 2 332 1 41 PHE H 1 41 PHE HB2 . . 4.000 3.072 2.978 3.148 . 0 0 "[ . 1 . 2]" 2 333 1 29 LEU MD1 1 41 PHE H . . 5.500 5.280 5.076 5.513 0.013 14 0 "[ . 1 . 2]" 2 334 1 32 PRO HB2 1 41 PHE H . . 4.740 3.292 2.996 3.666 . 0 0 "[ . 1 . 2]" 2 335 1 84 VAL HB 1 85 GLU H . . 4.780 3.715 2.427 4.440 . 0 0 "[ . 1 . 2]" 2 336 1 32 PRO HA 1 41 PHE H . . 4.570 3.819 3.488 4.117 . 0 0 "[ . 1 . 2]" 2 337 1 66 ARG H 1 67 VAL H . . 3.930 2.827 2.638 3.177 . 0 0 "[ . 1 . 2]" 2 338 1 64 VAL H 1 66 ARG H . . 4.650 2.651 2.522 2.794 . 0 0 "[ . 1 . 2]" 2 339 1 65 CYS H 1 66 ARG H . . 3.330 2.107 1.948 2.467 . 0 0 "[ . 1 . 2]" 2 340 1 62 CYS HB3 1 66 ARG H . . 3.750 2.064 1.878 2.520 . 0 0 "[ . 1 . 2]" 2 341 1 72 GLY H 1 73 ASN H . . 4.090 2.927 1.798 3.607 . 0 0 "[ . 1 . 2]" 2 342 1 73 ASN H 1 74 LEU H . . 3.610 2.940 1.860 3.336 . 0 0 "[ . 1 . 2]" 2 343 1 73 ASN H 1 73 ASN HB3 . . 4.140 3.253 2.465 3.820 . 0 0 "[ . 1 . 2]" 2 344 1 73 ASN H 1 73 ASN HB2 . . 4.140 2.457 2.182 3.253 . 0 0 "[ . 1 . 2]" 2 345 1 66 ARG H 1 66 ARG HD2 . . 4.700 3.759 2.138 4.666 . 0 0 "[ . 1 . 2]" 2 346 1 19 GLU HB3 1 20 VAL H . . 4.610 3.696 3.231 4.339 . 0 0 "[ . 1 . 2]" 2 347 1 20 VAL H 1 20 VAL HB . . 3.890 3.686 3.613 3.823 . 0 0 "[ . 1 . 2]" 2 348 1 19 GLU HB2 1 20 VAL H . . 4.610 3.090 2.280 4.449 . 0 0 "[ . 1 . 2]" 2 349 1 14 GLU HA 1 15 MET H . . 3.500 2.258 2.139 2.540 . 0 0 "[ . 1 . 2]" 2 350 1 17 LYS HA 1 18 GLU H . . 3.000 2.316 2.141 2.755 . 0 0 "[ . 1 . 2]" 2 351 1 17 LYS HB2 1 18 GLU H . . 4.380 4.349 4.120 4.438 0.058 15 0 "[ . 1 . 2]" 2 352 1 19 GLU H 1 19 GLU HG3 . . 4.530 3.512 2.800 4.481 . 0 0 "[ . 1 . 2]" 2 353 1 20 VAL H 1 21 THR H . . 3.290 2.359 2.178 2.619 . 0 0 "[ . 1 . 2]" 2 354 1 37 CYS H 1 67 VAL MG1 . . 5.500 3.896 3.443 4.936 . 0 0 "[ . 1 . 2]" 2 355 1 37 CYS H 1 67 VAL MG2 . . 5.500 5.178 4.561 5.536 0.036 13 0 "[ . 1 . 2]" 2 356 1 58 GLY H 1 59 LYS H . . 3.290 2.409 1.914 3.003 . 0 0 "[ . 1 . 2]" 2 357 1 62 CYS HB2 1 66 ARG H . . 4.140 3.775 3.382 4.199 0.059 12 0 "[ . 1 . 2]" 2 358 1 80 VAL H 1 81 ALA H . . 4.330 3.942 2.599 4.407 0.077 12 0 "[ . 1 . 2]" 2 359 1 16 ILE MG 1 18 GLU H . . 4.480 3.867 1.977 4.526 0.046 16 0 "[ . 1 . 2]" 2 360 1 16 ILE HA 1 16 ILE MG . . 3.240 2.404 2.169 2.503 . 0 0 "[ . 1 . 2]" 2 361 1 24 ILE H 1 24 ILE MG . . 4.080 3.808 3.773 3.856 . 0 0 "[ . 1 . 2]" 2 362 1 24 ILE HA 1 24 ILE MG . . 3.040 2.394 2.273 2.480 . 0 0 "[ . 1 . 2]" 2 363 1 24 ILE MG 1 25 CYS QB . . 3.990 3.234 3.085 3.400 . 0 0 "[ . 1 . 2]" 2 364 1 24 ILE HG13 1 24 ILE MG . . 3.650 3.165 3.128 3.197 . 0 0 "[ . 1 . 2]" 2 365 1 41 PHE HB3 1 46 ILE HB . . 3.930 3.693 3.567 3.897 . 0 0 "[ . 1 . 2]" 2 366 1 29 LEU MD2 1 41 PHE HB3 . . 4.390 3.887 3.637 4.257 . 0 0 "[ . 1 . 2]" 2 367 1 23 PRO HD2 1 41 PHE HB3 . . 4.640 3.824 3.617 3.881 . 0 0 "[ . 1 . 2]" 2 368 1 41 PHE HB2 1 46 ILE H . . 4.600 2.858 2.692 3.081 . 0 0 "[ . 1 . 2]" 2 369 1 41 PHE HB2 1 46 ILE HB . . 3.610 2.039 1.987 2.203 . 0 0 "[ . 1 . 2]" 2 370 1 29 LEU MD2 1 41 PHE HB2 . . 4.860 4.624 4.423 4.857 . 0 0 "[ . 1 . 2]" 2 371 1 33 VAL MG2 1 41 PHE HB2 . . 5.080 4.044 3.731 4.300 . 0 0 "[ . 1 . 2]" 2 372 1 29 LEU HB3 1 32 PRO HB3 . . 4.190 2.149 1.983 2.270 . 0 0 "[ . 1 . 2]" 2 373 1 29 LEU HB2 1 32 PRO HB3 . . 4.190 3.754 3.589 3.896 . 0 0 "[ . 1 . 2]" 2 374 1 43 ARG HA 1 43 ARG HD2 . . 4.710 3.135 2.138 4.648 . 0 0 "[ . 1 . 2]" 2 375 1 43 ARG HB2 1 43 ARG HD2 . . 4.040 2.906 2.067 3.761 . 0 0 "[ . 1 . 2]" 2 376 1 43 ARG HB3 1 43 ARG HD2 . . 3.950 3.665 2.722 4.218 0.268 17 0 "[ . 1 . 2]" 2 377 1 33 VAL MG1 1 43 ARG HD2 . . 4.430 3.046 2.192 4.430 0.000 11 0 "[ . 1 . 2]" 2 378 1 43 ARG HA 1 43 ARG HD3 . . 4.710 3.736 2.026 4.571 . 0 0 "[ . 1 . 2]" 2 379 1 43 ARG HB2 1 43 ARG HD3 . . 4.040 2.580 2.222 4.188 0.148 11 0 "[ . 1 . 2]" 2 380 1 43 ARG HB3 1 43 ARG HD3 . . 3.950 3.400 2.606 4.048 0.098 6 0 "[ . 1 . 2]" 2 381 1 33 VAL MG1 1 43 ARG HD3 . . 4.430 3.500 2.517 4.431 0.001 9 0 "[ . 1 . 2]" 2 382 1 21 THR HB 1 22 CYS H . . 3.930 3.713 3.419 3.922 . 0 0 "[ . 1 . 2]" 2 383 1 21 THR HB 1 26 LEU H . . 5.500 5.423 5.319 5.512 0.012 18 0 "[ . 1 . 2]" 2 384 1 21 THR HB 1 26 LEU HA . . 3.740 3.441 3.272 3.593 . 0 0 "[ . 1 . 2]" 2 385 1 21 THR HB 1 26 LEU MD2 . . 4.350 3.625 3.155 4.094 . 0 0 "[ . 1 . 2]" 2 386 1 66 ARG H 1 66 ARG HD3 . . 4.700 3.564 2.245 4.323 . 0 0 "[ . 1 . 2]" 2 387 1 66 ARG HA 1 66 ARG HD3 . . 4.290 3.240 2.086 4.228 . 0 0 "[ . 1 . 2]" 2 388 1 66 ARG HA 1 66 ARG HD2 . . 4.290 3.079 2.040 4.274 . 0 0 "[ . 1 . 2]" 2 389 1 59 LYS QE 1 70 PRO HB3 . . 5.010 2.694 2.093 3.456 . 0 0 "[ . 1 . 2]" 2 390 1 59 LYS QE 1 70 PRO HB2 . . 5.010 4.051 3.576 4.706 . 0 0 "[ . 1 . 2]" 2 391 1 59 LYS HB3 1 59 LYS QE . . 5.080 3.328 1.977 4.070 . 0 0 "[ . 1 . 2]" 2 392 1 13 LEU H 1 13 LEU HB3 . . 4.140 3.151 2.383 3.844 . 0 0 "[ . 1 . 2]" 2 393 1 24 ILE H 1 24 ILE MD . . 4.230 3.685 3.461 3.926 . 0 0 "[ . 1 . 2]" 2 394 1 24 ILE MD 1 41 PHE QE . . 4.510 3.877 3.555 4.205 . 0 0 "[ . 1 . 2]" 2 395 1 24 ILE MD 1 41 PHE QD . . 4.030 2.605 2.359 2.946 . 0 0 "[ . 1 . 2]" 2 396 1 41 PHE QD 1 46 ILE MD . . 4.220 2.113 1.969 3.932 . 0 0 "[ . 1 . 2]" 2 397 1 24 ILE MD 1 45 CYS HA . . 4.640 3.807 3.515 4.094 . 0 0 "[ . 1 . 2]" 2 398 1 24 ILE MD 1 41 PHE HB3 . . 3.640 2.587 1.983 2.951 . 0 0 "[ . 1 . 2]" 2 399 1 24 ILE MD 1 45 CYS HB3 . . 3.650 1.957 1.865 2.077 . 0 0 "[ . 1 . 2]" 2 400 1 24 ILE MD 1 45 CYS HB2 . . 3.650 3.260 2.878 3.420 . 0 0 "[ . 1 . 2]" 2 401 1 24 ILE MD 1 49 ASN HB3 . . 3.800 3.575 3.086 3.801 0.001 17 0 "[ . 1 . 2]" 2 402 1 24 ILE MD 1 49 ASN HB2 . . 3.800 2.805 2.499 3.133 . 0 0 "[ . 1 . 2]" 2 403 1 24 ILE MD 1 41 PHE HB2 . . 4.430 3.571 3.075 3.825 . 0 0 "[ . 1 . 2]" 2 404 1 41 PHE HB2 1 46 ILE MD . . 4.680 3.142 2.724 4.457 . 0 0 "[ . 1 . 2]" 2 405 1 24 ILE MD 1 63 PRO HB2 . . 4.770 3.590 3.075 4.101 . 0 0 "[ . 1 . 2]" 2 406 1 24 ILE HB 1 24 ILE MD . . 3.320 2.254 2.101 2.383 . 0 0 "[ . 1 . 2]" 2 407 1 23 PRO HG2 1 24 ILE MD . . 4.190 3.451 3.097 3.802 . 0 0 "[ . 1 . 2]" 2 408 1 24 ILE MD 1 63 PRO HB3 . . 4.770 3.624 3.090 4.240 . 0 0 "[ . 1 . 2]" 2 409 1 24 ILE MD 1 63 PRO QG . . 3.240 2.114 1.888 2.428 . 0 0 "[ . 1 . 2]" 2 410 1 24 ILE MD 1 24 ILE MG . . 2.940 2.250 1.921 2.498 . 0 0 "[ . 1 . 2]" 2 411 1 17 LYS QE 1 17 LYS QG . . 3.420 2.174 2.058 2.472 . 0 0 "[ . 1 . 2]" 2 412 1 17 LYS QE 1 20 VAL MG2 . . 4.800 4.065 2.175 4.783 . 0 0 "[ . 1 . 2]" 2 413 1 13 LEU H 1 13 LEU HB2 . . 4.140 2.986 2.164 4.003 . 0 0 "[ . 1 . 2]" 2 414 1 28 LEU H 1 28 LEU HB3 . . 3.620 3.536 3.095 3.605 . 0 0 "[ . 1 . 2]" 2 415 1 28 LEU HB2 1 29 LEU H . . 4.490 4.452 4.365 4.504 0.014 12 0 "[ . 1 . 2]" 2 416 1 16 ILE H 1 16 ILE MD . . 4.640 3.099 1.823 3.939 . 0 0 "[ . 1 . 2]" 2 417 1 16 ILE HA 1 16 ILE MD . . 3.930 3.181 1.969 3.955 0.025 17 0 "[ . 1 . 2]" 2 418 1 16 ILE HB 1 16 ILE MD . . 3.550 2.507 2.106 3.226 . 0 0 "[ . 1 . 2]" 2 419 1 56 THR HB 1 57 ASP H . . 4.540 3.974 3.298 4.588 0.048 14 0 "[ . 1 . 2]" 2 420 1 36 ASP H 1 36 ASP HB3 . . 4.000 2.930 2.281 3.591 . 0 0 "[ . 1 . 2]" 2 421 1 69 TYR HB2 1 70 PRO HD2 . . 4.640 2.305 2.037 2.568 . 0 0 "[ . 1 . 2]" 2 422 1 35 ALA MB 1 69 TYR HB2 . . 4.000 3.549 3.424 3.716 . 0 0 "[ . 1 . 2]" 2 423 1 69 TYR HB3 1 70 PRO HD3 . . 4.640 4.445 4.337 4.608 . 0 0 "[ . 1 . 2]" 2 424 1 47 THR HA 1 71 PHE HZ . . 4.290 3.615 2.494 4.288 . 0 0 "[ . 1 . 2]" 2 425 1 36 ASP H 1 69 TYR HB3 . . 5.180 4.003 3.695 4.417 . 0 0 "[ . 1 . 2]" 2 426 1 71 PHE H 1 71 PHE HB3 . . 4.080 2.728 2.478 2.936 . 0 0 "[ . 1 . 2]" 2 427 1 71 PHE H 1 71 PHE HB2 . . 4.080 2.382 2.198 2.728 . 0 0 "[ . 1 . 2]" 2 428 1 50 TYR HB3 1 71 PHE QE . . 4.770 3.494 2.217 4.353 . 0 0 "[ . 1 . 2]" 2 429 1 50 TYR HB2 1 71 PHE QE . . 4.770 3.718 2.611 4.411 . 0 0 "[ . 1 . 2]" 2 430 1 32 PRO HB2 1 77 ASN HB3 . . 4.320 3.544 2.691 4.316 . 0 0 "[ . 1 . 2]" 2 431 1 16 ILE HB 1 17 LYS H . . 4.660 4.330 3.735 4.505 . 0 0 "[ . 1 . 2]" 2 432 1 34 SER HB3 1 35 ALA H . . 4.010 3.186 2.506 3.911 . 0 0 "[ . 1 . 2]" 2 433 1 34 SER HB3 1 40 SER HA . . 5.500 4.990 4.663 5.334 . 0 0 "[ . 1 . 2]" 2 434 1 34 SER HB2 1 35 ALA H . . 4.010 3.490 2.544 4.016 0.006 19 0 "[ . 1 . 2]" 2 435 1 34 SER HB2 1 40 SER HA . . 5.500 5.094 3.905 5.534 0.034 10 0 "[ . 1 . 2]" 2 436 1 34 SER HB2 1 75 LYS QB . . 5.180 3.969 2.464 5.192 0.012 13 0 "[ . 1 . 2]" 2 437 1 32 PRO HB3 1 40 SER QB . . 4.740 3.505 3.014 4.195 . 0 0 "[ . 1 . 2]" 2 438 1 40 SER QB 1 77 ASN HD22 . . 4.900 4.019 2.107 4.788 . 0 0 "[ . 1 . 2]" 2 439 1 34 SER HA 1 40 SER QB . . 4.630 2.579 1.977 3.600 . 0 0 "[ . 1 . 2]" 2 440 1 32 PRO HB2 1 40 SER QB . . 4.390 2.127 1.973 3.044 . 0 0 "[ . 1 . 2]" 2 441 1 29 LEU MD2 1 40 SER QB . . 3.780 3.626 3.134 3.809 0.029 19 0 "[ . 1 . 2]" 2 442 1 40 SER QB 1 41 PHE QD . . 5.500 4.606 4.406 4.918 . 0 0 "[ . 1 . 2]" 2 443 1 31 GLU HA 1 31 GLU QG . . 3.870 2.438 2.157 3.332 . 0 0 "[ . 1 . 2]" 2 444 1 50 TYR QD 1 51 GLU HG2 . . 4.610 2.947 2.031 4.037 . 0 0 "[ . 1 . 2]" 2 445 1 48 LEU HA 1 51 GLU HG2 . . 4.800 4.061 1.950 4.805 0.005 11 0 "[ . 1 . 2]" 2 446 1 19 GLU HA 1 19 GLU HG3 . . 3.950 3.102 2.405 3.759 . 0 0 "[ . 1 . 2]" 2 447 1 18 GLU H 1 18 GLU HG3 . . 4.540 3.237 1.903 4.263 . 0 0 "[ . 1 . 2]" 2 448 1 14 GLU HA 1 14 GLU QG . . 3.830 2.680 2.192 3.454 . 0 0 "[ . 1 . 2]" 2 449 1 27 GLU HG3 1 28 LEU H . . 4.630 4.234 3.076 4.667 0.037 3 0 "[ . 1 . 2]" 2 450 1 27 GLU HA 1 27 GLU HG3 . . 4.020 3.221 2.757 3.718 . 0 0 "[ . 1 . 2]" 2 451 1 27 GLU H 1 27 GLU HG2 . . 4.390 3.821 2.676 4.424 0.034 18 0 "[ . 1 . 2]" 2 452 1 27 GLU HA 1 27 GLU HG2 . . 4.020 2.908 2.295 3.985 . 0 0 "[ . 1 . 2]" 2 453 1 33 VAL HB 1 75 LYS H . . 4.350 3.520 3.038 3.853 . 0 0 "[ . 1 . 2]" 2 454 1 33 VAL HB 1 76 PRO HA . . 4.810 4.015 3.594 4.378 . 0 0 "[ . 1 . 2]" 2 455 1 33 VAL HB 1 74 LEU HB2 . . 4.240 3.134 2.691 3.514 . 0 0 "[ . 1 . 2]" 2 456 1 33 VAL HB 1 74 LEU HB3 . . 4.240 2.017 1.984 2.141 . 0 0 "[ . 1 . 2]" 2 457 1 24 ILE HA 1 24 ILE HG13 . . 3.700 2.764 2.617 2.875 . 0 0 "[ . 1 . 2]" 2 458 1 24 ILE HA 1 24 ILE HG12 . . 3.470 2.698 2.508 2.857 . 0 0 "[ . 1 . 2]" 2 459 1 24 ILE HA 1 24 ILE MD . . 4.240 3.863 3.816 3.913 . 0 0 "[ . 1 . 2]" 2 460 1 52 SER QB 1 53 ASN H . . 3.920 2.507 2.269 3.306 . 0 0 "[ . 1 . 2]" 2 461 1 45 CYS HA 1 48 LEU H . . 4.380 3.613 3.317 3.887 . 0 0 "[ . 1 . 2]" 2 462 1 45 CYS HA 1 48 LEU QB . . 3.670 2.849 2.547 3.234 . 0 0 "[ . 1 . 2]" 2 463 1 44 ALA MB 1 45 CYS HA . . 4.380 3.656 3.549 3.798 . 0 0 "[ . 1 . 2]" 2 464 1 12 VAL HA 1 12 VAL MG1 . . 3.700 2.453 2.246 3.205 . 0 0 "[ . 1 . 2]" 2 465 1 22 CYS HB2 1 26 LEU H . . 4.690 3.980 3.838 4.251 . 0 0 "[ . 1 . 2]" 2 466 1 22 CYS HB3 1 23 PRO HD2 . . 4.610 4.253 4.136 4.361 . 0 0 "[ . 1 . 2]" 2 467 1 22 CYS HB3 1 42 CYS H . . 5.090 4.808 4.584 5.009 . 0 0 "[ . 1 . 2]" 2 468 1 21 THR MG 1 22 CYS HB3 . . 4.700 3.273 3.070 3.649 . 0 0 "[ . 1 . 2]" 2 469 1 22 CYS HB2 1 23 PRO HD2 . . 4.390 4.078 3.934 4.165 . 0 0 "[ . 1 . 2]" 2 470 1 22 CYS HB2 1 29 LEU HA . . 4.010 3.453 3.215 3.593 . 0 0 "[ . 1 . 2]" 2 471 1 22 CYS HB2 1 29 LEU HG . . 4.560 2.941 2.658 3.262 . 0 0 "[ . 1 . 2]" 2 472 1 74 LEU HA 1 75 LYS QB . . 4.730 4.346 4.118 4.429 . 0 0 "[ . 1 . 2]" 2 473 1 75 LYS QB 1 75 LYS QD . . 3.320 2.175 2.032 2.386 . 0 0 "[ . 1 . 2]" 2 474 1 71 PHE HA 1 71 PHE QD . . 3.830 2.561 2.201 3.112 . 0 0 "[ . 1 . 2]" 2 475 1 71 PHE HA 1 74 LEU HG . . 4.240 3.682 3.156 3.975 . 0 0 "[ . 1 . 2]" 2 476 1 20 VAL HA 1 21 THR H . . 3.510 3.367 2.976 3.544 0.034 17 0 "[ . 1 . 2]" 2 477 1 20 VAL HA 1 29 LEU MD1 . . 4.280 4.024 3.666 4.342 0.062 8 0 "[ . 1 . 2]" 2 478 1 61 ASN HA 1 68 PRO HB3 . . 4.990 4.833 4.544 5.021 0.031 4 0 "[ . 1 . 2]" 2 479 1 16 ILE HA 1 17 LYS HB2 . . 4.770 4.529 4.286 4.749 . 0 0 "[ . 1 . 2]" 2 480 1 17 LYS HB2 1 19 GLU H . . 4.860 4.588 3.573 4.854 . 0 0 "[ . 1 . 2]" 2 481 1 17 LYS HB3 1 19 GLU H . . 5.140 3.487 2.850 4.121 . 0 0 "[ . 1 . 2]" 2 482 1 17 LYS H 1 17 LYS HB3 . . 3.890 3.236 2.725 3.883 . 0 0 "[ . 1 . 2]" 2 483 1 67 VAL HB 1 68 PRO HD3 . . 5.010 4.756 4.581 5.001 . 0 0 "[ . 1 . 2]" 2 484 1 29 LEU MD2 1 32 PRO HB2 . . 3.990 3.355 3.067 3.916 . 0 0 "[ . 1 . 2]" 2 485 1 83 ILE HA 1 83 ILE MG . . 3.620 2.308 2.133 2.470 . 0 0 "[ . 1 . 2]" 2 486 1 50 TYR HA 1 50 TYR QD . . 3.750 2.867 2.485 3.197 . 0 0 "[ . 1 . 2]" 2 487 1 16 ILE HA 1 16 ILE HG12 . . 4.100 3.013 2.520 3.557 . 0 0 "[ . 1 . 2]" 2 488 1 16 ILE HA 1 16 ILE HG13 . . 4.100 2.962 2.234 3.761 . 0 0 "[ . 1 . 2]" 2 489 1 43 ARG HA 1 43 ARG HG2 . . 3.900 3.509 2.181 3.851 . 0 0 "[ . 1 . 2]" 2 490 1 33 VAL MG2 1 43 ARG HA . . 3.310 3.109 2.682 3.322 0.012 20 0 "[ . 1 . 2]" 2 491 1 43 ARG HA 1 43 ARG HG3 . . 3.900 2.708 2.181 3.476 . 0 0 "[ . 1 . 2]" 2 492 1 21 THR HA 1 28 LEU HA . . 4.490 4.382 3.987 4.503 0.013 12 0 "[ . 1 . 2]" 2 493 1 24 ILE HG12 1 63 PRO HB2 . . 4.840 3.197 2.766 3.856 . 0 0 "[ . 1 . 2]" 2 494 1 24 ILE HG12 1 63 PRO HB3 . . 4.840 3.707 3.187 4.429 . 0 0 "[ . 1 . 2]" 2 495 1 32 PRO HA 1 42 CYS HA . . 3.770 2.759 2.498 3.055 . 0 0 "[ . 1 . 2]" 2 496 1 29 LEU MD2 1 42 CYS HA . . 4.160 3.344 3.139 3.675 . 0 0 "[ . 1 . 2]" 2 497 1 42 CYS HB3 1 45 CYS H . . 3.690 3.159 2.990 3.302 . 0 0 "[ . 1 . 2]" 2 498 1 42 CYS HB3 1 43 ARG HB3 . . 5.060 4.782 4.585 5.079 0.019 20 0 "[ . 1 . 2]" 2 499 1 42 CYS HB2 1 46 ILE H . . 4.770 3.746 3.651 3.892 . 0 0 "[ . 1 . 2]" 2 500 1 42 CYS HB2 1 45 CYS H . . 3.500 2.198 2.111 2.310 . 0 0 "[ . 1 . 2]" 2 501 1 46 ILE HA 1 50 TYR H . . 4.760 4.055 3.689 4.344 . 0 0 "[ . 1 . 2]" 2 502 1 46 ILE HA 1 49 ASN HB3 . . 3.950 3.202 2.599 3.952 0.002 15 0 "[ . 1 . 2]" 2 503 1 46 ILE HA 1 49 ASN HB2 . . 3.950 3.677 2.688 3.951 0.001 13 0 "[ . 1 . 2]" 2 504 1 41 PHE HB2 1 46 ILE HA . . 4.860 3.336 3.124 3.533 . 0 0 "[ . 1 . 2]" 2 505 1 24 ILE MD 1 46 ILE HA . . 4.070 3.597 3.354 3.862 . 0 0 "[ . 1 . 2]" 2 506 1 46 ILE HA 1 46 ILE MD . . 4.230 2.888 2.046 3.659 . 0 0 "[ . 1 . 2]" 2 507 1 39 HIS HB2 1 41 PHE HZ . . 4.820 2.715 2.401 3.031 . 0 0 "[ . 1 . 2]" 2 508 1 39 HIS HB2 1 41 PHE QE . . 4.750 3.073 2.833 3.326 . 0 0 "[ . 1 . 2]" 2 509 1 39 HIS HB3 1 41 PHE QE . . 4.540 2.864 2.731 2.931 . 0 0 "[ . 1 . 2]" 2 510 1 39 HIS HB3 1 64 VAL HB . . 4.840 4.187 4.058 4.902 0.062 13 0 "[ . 1 . 2]" 2 511 1 62 CYS H 1 62 CYS HB3 . . 3.610 2.591 2.459 2.911 . 0 0 "[ . 1 . 2]" 2 512 1 62 CYS HB3 1 66 ARG HA . . 4.610 2.958 2.728 3.163 . 0 0 "[ . 1 . 2]" 2 513 1 62 CYS HB3 1 67 VAL HB . . 4.710 4.016 3.576 4.281 . 0 0 "[ . 1 . 2]" 2 514 1 62 CYS HB3 1 69 TYR QD . . 4.660 4.507 4.296 4.681 0.021 4 0 "[ . 1 . 2]" 2 515 1 61 ASN HA 1 62 CYS HB3 . . 5.500 4.796 4.633 5.203 . 0 0 "[ . 1 . 2]" 2 516 1 62 CYS HB3 1 65 CYS HA . . 5.500 4.662 4.327 4.868 . 0 0 "[ . 1 . 2]" 2 517 1 62 CYS HB2 1 65 CYS H . . 4.400 3.961 3.680 4.066 . 0 0 "[ . 1 . 2]" 2 518 1 62 CYS HB2 1 67 VAL H . . 4.020 2.603 2.001 3.063 . 0 0 "[ . 1 . 2]" 2 519 1 62 CYS HB2 1 66 ARG HA . . 4.680 4.067 3.688 4.411 . 0 0 "[ . 1 . 2]" 2 520 1 62 CYS HB2 1 67 VAL MG1 . . 5.500 3.029 1.894 5.113 . 0 0 "[ . 1 . 2]" 2 521 1 62 CYS HB2 1 67 VAL MG2 . . 5.500 4.789 3.792 5.191 . 0 0 "[ . 1 . 2]" 2 522 1 62 CYS HB2 1 67 VAL HB . . 4.510 4.216 3.023 4.522 0.012 1 0 "[ . 1 . 2]" 2 523 1 37 CYS HB3 1 67 VAL MG1 . . 5.030 2.441 1.973 3.474 . 0 0 "[ . 1 . 2]" 2 524 1 37 CYS HB3 1 38 ASN H . . 4.700 4.644 4.631 4.653 . 0 0 "[ . 1 . 2]" 2 525 1 37 CYS HB2 1 38 ASN H . . 4.700 4.426 4.384 4.448 . 0 0 "[ . 1 . 2]" 2 526 1 37 CYS HB2 1 67 VAL MG1 . . 5.030 3.720 3.149 4.854 . 0 0 "[ . 1 . 2]" 2 527 1 14 GLU HB3 1 15 MET H . . 4.670 3.425 2.169 4.292 . 0 0 "[ . 1 . 2]" 2 528 1 50 TYR QD 1 51 GLU HA . . 4.570 3.234 2.434 4.032 . 0 0 "[ . 1 . 2]" 2 529 1 19 GLU HB3 1 20 VAL MG1 . . 4.320 3.756 3.187 4.420 0.100 8 0 "[ . 1 . 2]" 2 530 1 19 GLU HB2 1 20 VAL MG1 . . 4.320 3.407 2.848 4.229 . 0 0 "[ . 1 . 2]" 2 531 1 19 GLU HB2 1 20 VAL MG2 . . 5.330 4.224 3.729 5.038 . 0 0 "[ . 1 . 2]" 2 532 1 45 CYS HB3 1 46 ILE H . . 4.030 2.952 2.754 3.277 . 0 0 "[ . 1 . 2]" 2 533 1 45 CYS H 1 45 CYS HB3 . . 4.170 3.603 3.565 3.625 . 0 0 "[ . 1 . 2]" 2 534 1 42 CYS HB2 1 45 CYS HB3 . . 4.090 3.610 3.536 3.714 . 0 0 "[ . 1 . 2]" 2 535 1 45 CYS HB2 1 46 ILE H . . 4.030 2.277 2.107 2.462 . 0 0 "[ . 1 . 2]" 2 536 1 45 CYS H 1 45 CYS HB2 . . 4.170 2.453 2.348 2.582 . 0 0 "[ . 1 . 2]" 2 537 1 42 CYS HB2 1 45 CYS HB2 . . 4.090 2.044 1.976 2.200 . 0 0 "[ . 1 . 2]" 2 538 1 65 CYS H 1 66 ARG HA . . 4.390 4.294 4.184 4.385 . 0 0 "[ . 1 . 2]" 2 539 1 51 GLU H 1 51 GLU HB2 . . 3.740 2.574 2.380 3.589 . 0 0 "[ . 1 . 2]" 2 540 1 51 GLU HB2 1 52 SER H . . 4.570 2.592 2.188 3.921 . 0 0 "[ . 1 . 2]" 2 541 1 31 GLU HB3 1 43 ARG HB2 . . 4.350 3.135 2.349 4.222 . 0 0 "[ . 1 . 2]" 2 542 1 33 VAL MG1 1 43 ARG HB2 . . 3.960 3.632 3.265 3.994 0.034 11 0 "[ . 1 . 2]" 2 543 1 31 GLU HB3 1 43 ARG HB3 . . 4.530 4.256 3.099 4.532 0.002 1 0 "[ . 1 . 2]" 2 544 1 33 VAL MG1 1 43 ARG HB3 . . 5.330 4.885 4.595 5.194 . 0 0 "[ . 1 . 2]" 2 545 1 62 CYS HA 1 63 PRO QG . . 4.790 3.813 3.791 3.832 . 0 0 "[ . 1 . 2]" 2 546 1 37 CYS HA 1 67 VAL MG1 . . 5.500 4.333 3.978 5.167 . 0 0 "[ . 1 . 2]" 2 547 1 37 CYS HA 1 67 VAL MG2 . . 5.500 4.958 4.678 5.170 . 0 0 "[ . 1 . 2]" 2 548 1 48 LEU HA 1 51 GLU H . . 4.160 3.637 3.335 3.965 . 0 0 "[ . 1 . 2]" 2 549 1 49 ASN HA 1 53 ASN H . . 5.500 4.081 3.588 4.430 . 0 0 "[ . 1 . 2]" 2 550 1 48 LEU HA 1 51 GLU HG3 . . 4.800 3.221 2.234 4.188 . 0 0 "[ . 1 . 2]" 2 551 1 47 THR MG 1 48 LEU HA . . 4.640 3.403 3.186 3.607 . 0 0 "[ . 1 . 2]" 2 552 1 75 LYS HA 1 75 LYS QD . . 4.520 3.600 2.058 4.406 . 0 0 "[ . 1 . 2]" 2 553 1 17 LYS QG 1 20 VAL MG2 . . 4.680 2.883 1.750 4.462 . 0 0 "[ . 1 . 2]" 2 554 1 36 ASP HA 1 38 ASN H . . 4.720 3.566 3.488 3.639 . 0 0 "[ . 1 . 2]" 2 555 1 46 ILE HG12 1 74 LEU MD1 . . 4.690 2.483 1.922 4.132 . 0 0 "[ . 1 . 2]" 2 556 1 31 GLU HB3 1 43 ARG H . . 4.990 4.520 3.576 4.917 . 0 0 "[ . 1 . 2]" 2 557 1 31 GLU HB3 1 32 PRO HD3 . . 5.500 5.029 4.755 5.099 . 0 0 "[ . 1 . 2]" 2 558 1 31 GLU HB2 1 43 ARG HB2 . . 4.350 3.214 2.116 4.092 . 0 0 "[ . 1 . 2]" 2 559 1 19 GLU HA 1 20 VAL MG1 . . 5.410 4.713 4.407 5.047 . 0 0 "[ . 1 . 2]" 2 560 1 19 GLU HA 1 20 VAL MG2 . . 5.500 4.877 4.273 5.123 . 0 0 "[ . 1 . 2]" 2 561 1 19 GLU HA 1 19 GLU HG2 . . 3.950 2.638 2.172 3.873 . 0 0 "[ . 1 . 2]" 2 562 1 22 CYS HB3 1 26 LEU HA . . 4.660 3.384 3.231 3.504 . 0 0 "[ . 1 . 2]" 2 563 1 59 LYS QE 1 70 PRO HG2 . . 4.990 4.692 4.219 4.992 0.002 8 0 "[ . 1 . 2]" 2 564 1 17 LYS HA 1 17 LYS HD3 . . 4.340 2.798 1.998 4.100 . 0 0 "[ . 1 . 2]" 2 565 1 16 ILE MG 1 17 LYS HA . . 4.530 3.923 3.497 4.297 . 0 0 "[ . 1 . 2]" 2 566 1 30 LYS HA 1 31 GLU HA . . 4.480 4.372 4.355 4.382 . 0 0 "[ . 1 . 2]" 2 567 1 29 LEU HA 1 42 CYS HB3 . . 5.500 4.430 4.165 4.774 . 0 0 "[ . 1 . 2]" 2 568 1 29 LEU HA 1 29 LEU HG . . 3.930 2.771 2.668 2.916 . 0 0 "[ . 1 . 2]" 2 569 1 23 PRO HG3 1 41 PHE QE . . 4.510 2.431 2.003 2.846 . 0 0 "[ . 1 . 2]" 2 570 1 23 PRO HG3 1 41 PHE QD . . 4.220 3.329 3.180 3.525 . 0 0 "[ . 1 . 2]" 2 571 1 67 VAL HA 1 68 PRO HG3 . . 4.580 4.342 4.318 4.361 . 0 0 "[ . 1 . 2]" 2 572 1 67 VAL HA 1 68 PRO HG2 . . 4.580 4.296 4.222 4.339 . 0 0 "[ . 1 . 2]" 2 573 1 23 PRO HG2 1 24 ILE HG13 . . 4.100 2.677 2.582 2.781 . 0 0 "[ . 1 . 2]" 2 574 1 24 ILE H 1 24 ILE HG12 . . 4.370 4.091 3.988 4.240 . 0 0 "[ . 1 . 2]" 2 575 1 24 ILE HG12 1 41 PHE QD . . 5.200 4.779 4.394 5.077 . 0 0 "[ . 1 . 2]" 2 576 1 54 ARG HA 1 55 ASN QB . . 5.410 4.279 3.859 4.621 . 0 0 "[ . 1 . 2]" 2 577 1 54 ARG HA 1 54 ARG QG . . 3.700 3.035 2.154 3.429 . 0 0 "[ . 1 . 2]" 2 578 1 22 CYS H 1 28 LEU HA . . 4.830 4.723 4.560 4.832 0.002 17 0 "[ . 1 . 2]" 2 579 1 28 LEU HA 1 28 LEU HG . . 4.060 3.092 2.593 3.693 . 0 0 "[ . 1 . 2]" 2 580 1 21 THR MG 1 28 LEU HA . . 3.990 3.548 3.159 3.815 . 0 0 "[ . 1 . 2]" 2 581 1 33 VAL HB 1 74 LEU HA . . 4.510 3.944 3.789 4.068 . 0 0 "[ . 1 . 2]" 2 582 1 63 PRO QG 1 64 VAL H . . 4.550 3.436 3.359 3.543 . 0 0 "[ . 1 . 2]" 2 583 1 41 PHE QE 1 63 PRO QG . . 4.120 2.877 2.256 3.357 . 0 0 "[ . 1 . 2]" 2 584 1 41 PHE QD 1 63 PRO QG . . 4.370 3.535 3.048 3.995 . 0 0 "[ . 1 . 2]" 2 585 1 24 ILE HG12 1 63 PRO QG . . 4.070 3.127 2.695 3.569 . 0 0 "[ . 1 . 2]" 2 586 1 26 LEU HA 1 26 LEU HG . . 4.110 3.092 3.004 3.232 . 0 0 "[ . 1 . 2]" 2 587 1 13 LEU HA 1 13 LEU HG . . 4.250 3.006 2.361 3.700 . 0 0 "[ . 1 . 2]" 2 588 1 48 LEU H 1 48 LEU HG . . 4.370 3.757 2.262 4.523 0.153 10 0 "[ . 1 . 2]" 2 589 1 48 LEU H 1 48 LEU MD1 . . 4.670 3.651 1.951 4.328 . 0 0 "[ . 1 . 2]" 2 590 1 13 LEU H 1 13 LEU HG . . 4.270 3.411 1.908 4.288 0.018 19 0 "[ . 1 . 2]" 2 591 1 78 LEU H 1 78 LEU HG . . 4.960 3.271 1.910 4.380 . 0 0 "[ . 1 . 2]" 2 592 1 44 ALA HA 1 47 THR MG . . 4.530 4.009 3.840 4.179 . 0 0 "[ . 1 . 2]" 2 593 1 44 ALA HA 1 47 THR H . . 4.550 3.510 3.325 3.856 . 0 0 "[ . 1 . 2]" 2 594 1 44 ALA HA 1 47 THR HG1 . . 4.470 3.070 2.219 4.410 . 0 0 "[ . 1 . 2]" 2 595 1 28 LEU HB2 1 28 LEU HG . . 3.000 2.449 2.386 2.520 . 0 0 "[ . 1 . 2]" 2 596 1 78 LEU HA 1 78 LEU HG . . 3.780 3.182 2.330 3.727 . 0 0 "[ . 1 . 2]" 2 597 1 37 CYS H 1 38 ASN HA . . 5.030 4.931 4.893 4.985 . 0 0 "[ . 1 . 2]" 2 598 1 71 PHE QE 1 74 LEU MD1 . . 4.070 3.337 2.581 3.858 . 0 0 "[ . 1 . 2]" 2 599 1 71 PHE QD 1 74 LEU MD1 . . 4.160 3.177 2.230 3.942 . 0 0 "[ . 1 . 2]" 2 600 1 74 LEU HA 1 74 LEU MD1 . . 4.430 3.945 3.917 3.980 . 0 0 "[ . 1 . 2]" 2 601 1 71 PHE HA 1 74 LEU MD1 . . 4.170 3.167 2.620 3.551 . 0 0 "[ . 1 . 2]" 2 602 1 33 VAL MG2 1 74 LEU MD1 . . 3.480 2.188 1.926 2.460 . 0 0 "[ . 1 . 2]" 2 603 1 71 PHE QD 1 74 LEU HG . . 5.500 4.851 4.073 5.500 . 0 0 "[ . 1 . 2]" 2 604 1 21 THR HA 1 29 LEU MD1 . . 4.840 2.995 2.667 3.447 . 0 0 "[ . 1 . 2]" 2 605 1 29 LEU HA 1 29 LEU MD1 . . 4.630 3.904 3.864 3.956 . 0 0 "[ . 1 . 2]" 2 606 1 28 LEU HA 1 29 LEU MD1 . . 4.680 4.618 4.518 4.713 0.033 20 0 "[ . 1 . 2]" 2 607 1 29 LEU MD1 1 40 SER QB . . 3.890 3.587 3.081 3.915 0.025 19 0 "[ . 1 . 2]" 2 608 1 22 CYS HB2 1 29 LEU MD1 . . 4.730 4.039 3.752 4.327 . 0 0 "[ . 1 . 2]" 2 609 1 20 VAL HB 1 29 LEU MD1 . . 4.030 3.550 2.919 4.011 . 0 0 "[ . 1 . 2]" 2 610 1 29 LEU MD1 1 32 PRO HB3 . . 3.800 3.504 3.303 3.732 . 0 0 "[ . 1 . 2]" 2 611 1 29 LEU MD1 1 32 PRO HB2 . . 3.920 3.748 3.526 3.945 0.025 15 0 "[ . 1 . 2]" 2 612 1 29 LEU HB3 1 29 LEU MD1 . . 3.420 2.648 2.586 2.697 . 0 0 "[ . 1 . 2]" 2 613 1 29 LEU HB2 1 29 LEU MD1 . . 3.420 2.136 1.969 2.209 . 0 0 "[ . 1 . 2]" 2 614 1 26 LEU H 1 26 LEU MD1 . . 4.640 4.359 4.293 4.443 . 0 0 "[ . 1 . 2]" 2 615 1 26 LEU HA 1 26 LEU MD1 . . 4.090 3.936 3.889 3.974 . 0 0 "[ . 1 . 2]" 2 616 1 26 LEU HB3 1 26 LEU MD1 . . 3.120 2.488 2.401 2.586 . 0 0 "[ . 1 . 2]" 2 617 1 28 LEU H 1 28 LEU MD1 . . 4.190 3.741 3.574 4.164 . 0 0 "[ . 1 . 2]" 2 618 1 28 LEU HA 1 28 LEU MD1 . . 3.950 3.202 1.974 3.829 . 0 0 "[ . 1 . 2]" 2 619 1 28 LEU HB3 1 28 LEU MD1 . . 3.250 2.359 2.272 2.470 . 0 0 "[ . 1 . 2]" 2 620 1 78 LEU QB 1 78 LEU MD1 . . 3.260 2.078 1.936 2.320 . 0 0 "[ . 1 . 2]" 2 621 1 17 LYS HA 1 17 LYS HD2 . . 4.340 2.945 2.005 4.154 . 0 0 "[ . 1 . 2]" 2 622 1 17 LYS HB2 1 17 LYS HD2 . . 3.780 3.250 2.062 3.704 . 0 0 "[ . 1 . 2]" 2 623 1 17 LYS HB2 1 17 LYS HD3 . . 3.780 3.025 2.261 3.779 . 0 0 "[ . 1 . 2]" 2 624 1 67 VAL HA 1 67 VAL MG1 . . 3.290 2.970 2.429 3.203 . 0 0 "[ . 1 . 2]" 2 625 1 67 VAL MG1 1 68 PRO HD3 . . 4.630 4.166 3.143 4.713 0.083 19 0 "[ . 1 . 2]" 2 626 1 67 VAL MG1 1 68 PRO HD2 . . 4.220 3.231 1.811 4.079 . 0 0 "[ . 1 . 2]" 2 627 1 29 LEU MD2 1 41 PHE H . . 4.250 3.974 3.827 4.232 . 0 0 "[ . 1 . 2]" 2 628 1 29 LEU MD2 1 41 PHE HA . . 3.280 2.253 2.003 2.555 . 0 0 "[ . 1 . 2]" 2 629 1 21 THR HA 1 29 LEU MD2 . . 4.110 3.988 3.521 4.134 0.024 20 0 "[ . 1 . 2]" 2 630 1 23 PRO HD2 1 29 LEU MD2 . . 4.290 3.385 3.148 3.623 . 0 0 "[ . 1 . 2]" 2 631 1 29 LEU HA 1 29 LEU MD2 . . 3.140 2.441 2.343 2.601 . 0 0 "[ . 1 . 2]" 2 632 1 22 CYS HB3 1 29 LEU MD2 . . 3.610 3.393 3.180 3.562 . 0 0 "[ . 1 . 2]" 2 633 1 22 CYS HB2 1 29 LEU MD2 . . 3.290 1.960 1.805 2.093 . 0 0 "[ . 1 . 2]" 2 634 1 29 LEU MD2 1 32 PRO HB3 . . 3.530 2.444 1.972 2.926 . 0 0 "[ . 1 . 2]" 2 635 1 30 LYS H 1 30 LYS HG3 . . 4.720 3.577 2.620 4.680 . 0 0 "[ . 1 . 2]" 2 636 1 30 LYS HA 1 30 LYS HG3 . . 4.160 2.967 2.200 3.806 . 0 0 "[ . 1 . 2]" 2 637 1 30 LYS HA 1 30 LYS HG2 . . 4.160 2.880 2.262 3.929 . 0 0 "[ . 1 . 2]" 2 638 1 34 SER H 1 75 LYS QG . . 5.500 4.668 2.667 5.522 0.022 10 0 "[ . 1 . 2]" 2 639 1 74 LEU HA 1 75 LYS QG . . 4.780 3.837 3.485 4.489 . 0 0 "[ . 1 . 2]" 2 640 1 28 LEU HA 1 28 LEU MD2 . . 3.020 2.164 1.960 2.372 . 0 0 "[ . 1 . 2]" 2 641 1 28 LEU HB2 1 28 LEU MD2 . . 3.530 2.914 2.396 3.193 . 0 0 "[ . 1 . 2]" 2 642 1 28 LEU HB3 1 28 LEU MD2 . . 3.320 2.623 2.177 3.196 . 0 0 "[ . 1 . 2]" 2 643 1 67 VAL MG2 1 68 PRO HD3 . . 4.630 3.468 3.126 4.216 . 0 0 "[ . 1 . 2]" 2 644 1 67 VAL HA 1 68 PRO HD3 . . 2.880 2.258 2.253 2.283 . 0 0 "[ . 1 . 2]" 2 645 1 67 VAL HA 1 68 PRO HD2 . . 3.070 2.129 2.036 2.183 . 0 0 "[ . 1 . 2]" 2 646 1 67 VAL HB 1 68 PRO HD2 . . 4.150 3.865 3.660 4.168 0.018 15 0 "[ . 1 . 2]" 2 647 1 67 VAL MG2 1 68 PRO HD2 . . 4.220 2.287 1.791 3.452 . 0 0 "[ . 1 . 2]" 2 648 1 23 PRO HD3 1 41 PHE QD . . 4.510 3.735 3.506 3.999 . 0 0 "[ . 1 . 2]" 2 649 1 23 PRO HD3 1 24 ILE H . . 4.680 4.076 4.054 4.107 . 0 0 "[ . 1 . 2]" 2 650 1 23 PRO HD3 1 29 LEU MD2 . . 4.270 3.821 3.593 4.022 . 0 0 "[ . 1 . 2]" 2 651 1 78 LEU QB 1 78 LEU MD2 . . 3.260 2.123 1.934 2.275 . 0 0 "[ . 1 . 2]" 2 652 1 26 LEU MD2 1 27 GLU H . . 4.760 4.576 4.468 4.715 . 0 0 "[ . 1 . 2]" 2 653 1 26 LEU H 1 26 LEU MD2 . . 3.480 3.224 2.963 3.354 . 0 0 "[ . 1 . 2]" 2 654 1 23 PRO HA 1 26 LEU MD2 . . 3.400 2.516 2.341 2.702 . 0 0 "[ . 1 . 2]" 2 655 1 26 LEU HA 1 26 LEU MD2 . . 2.980 2.244 2.025 2.462 . 0 0 "[ . 1 . 2]" 2 656 1 26 LEU HB3 1 26 LEU MD2 . . 3.580 2.249 2.124 2.356 . 0 0 "[ . 1 . 2]" 2 657 1 26 LEU HB2 1 26 LEU MD2 . . 3.580 3.175 3.160 3.191 . 0 0 "[ . 1 . 2]" 2 658 1 69 TYR QD 1 74 LEU MD2 . . 3.920 3.098 2.490 3.430 . 0 0 "[ . 1 . 2]" 2 659 1 69 TYR QE 1 74 LEU MD2 . . 4.150 3.086 1.994 3.587 . 0 0 "[ . 1 . 2]" 2 660 1 71 PHE HA 1 74 LEU MD2 . . 4.500 4.230 3.668 4.500 0.000 12 0 "[ . 1 . 2]" 2 661 1 74 LEU H 1 74 LEU MD2 . . 4.710 3.677 3.000 4.102 . 0 0 "[ . 1 . 2]" 2 662 1 74 LEU HA 1 74 LEU MD2 . . 3.140 2.354 2.088 2.651 . 0 0 "[ . 1 . 2]" 2 663 1 33 VAL HB 1 74 LEU MD2 . . 4.220 3.469 3.006 3.732 . 0 0 "[ . 1 . 2]" 2 664 1 35 ALA MB 1 74 LEU MD2 . . 3.250 2.227 2.037 2.548 . 0 0 "[ . 1 . 2]" 2 665 1 46 ILE MG 1 74 LEU MD2 . . 4.350 4.233 3.949 4.369 0.019 14 0 "[ . 1 . 2]" 2 666 1 33 VAL MG2 1 74 LEU MD2 . . 3.420 2.431 1.929 2.919 . 0 0 "[ . 1 . 2]" 2 667 1 69 TYR HA 1 70 PRO HD2 . . 3.540 2.255 2.140 2.362 . 0 0 "[ . 1 . 2]" 2 668 1 69 TYR HB3 1 70 PRO HD2 . . 4.640 3.494 3.363 3.705 . 0 0 "[ . 1 . 2]" 2 669 1 63 PRO HD2 1 69 TYR QE . . 4.820 4.116 3.725 4.458 . 0 0 "[ . 1 . 2]" 2 670 1 41 PHE HZ 1 63 PRO HD2 . . 4.640 3.374 3.060 3.709 . 0 0 "[ . 1 . 2]" 2 671 1 62 CYS HA 1 63 PRO HD2 . . 3.360 2.060 2.010 2.100 . 0 0 "[ . 1 . 2]" 2 672 1 69 TYR HB2 1 70 PRO HD3 . . 4.640 3.709 3.471 3.928 . 0 0 "[ . 1 . 2]" 2 673 1 69 TYR QD 1 70 PRO HD3 . . 5.050 4.877 4.677 5.028 . 0 0 "[ . 1 . 2]" 2 674 1 69 TYR HA 1 70 PRO HD3 . . 3.540 2.260 2.250 2.285 . 0 0 "[ . 1 . 2]" 2 675 1 41 PHE QE 1 63 PRO HD3 . . 5.290 4.840 4.559 5.145 . 0 0 "[ . 1 . 2]" 2 676 1 62 CYS HA 1 63 PRO HD3 . . 3.320 2.272 2.259 2.296 . 0 0 "[ . 1 . 2]" 2 677 1 75 LYS HA 1 76 PRO HD2 . . 3.150 2.279 2.133 2.411 . 0 0 "[ . 1 . 2]" 2 678 1 75 LYS QB 1 76 PRO HD2 . . 3.840 2.255 1.990 2.585 . 0 0 "[ . 1 . 2]" 2 679 1 75 LYS QG 1 76 PRO HD2 . . 4.830 3.621 3.064 4.030 . 0 0 "[ . 1 . 2]" 2 680 1 75 LYS HA 1 76 PRO HD3 . . 3.150 2.270 2.255 2.304 . 0 0 "[ . 1 . 2]" 2 681 1 75 LYS QB 1 76 PRO HD3 . . 3.840 3.555 3.310 3.811 . 0 0 "[ . 1 . 2]" 2 682 1 75 LYS QG 1 76 PRO HD3 . . 4.830 4.411 3.862 4.827 . 0 0 "[ . 1 . 2]" 2 683 1 31 GLU H 1 32 PRO HD2 . . 3.830 2.786 2.611 3.022 . 0 0 "[ . 1 . 2]" 2 684 1 31 GLU HA 1 32 PRO HD2 . . 3.130 2.338 2.313 2.375 . 0 0 "[ . 1 . 2]" 2 685 1 31 GLU H 1 32 PRO HD3 . . 3.750 2.549 2.351 2.765 . 0 0 "[ . 1 . 2]" 2 686 1 30 LYS HA 1 32 PRO HD3 . . 4.370 3.160 2.926 3.263 . 0 0 "[ . 1 . 2]" 2 687 1 31 GLU HA 1 32 PRO HD3 . . 3.470 3.227 3.201 3.265 . 0 0 "[ . 1 . 2]" 2 688 1 29 LEU HB3 1 32 PRO HD3 . . 4.700 2.794 2.637 3.278 . 0 0 "[ . 1 . 2]" 2 689 1 29 LEU HB2 1 32 PRO HD3 . . 4.700 3.556 3.306 4.018 . 0 0 "[ . 1 . 2]" 2 690 1 29 LEU MD2 1 32 PRO HD3 . . 4.690 4.303 4.052 4.703 0.013 20 0 "[ . 1 . 2]" 2 691 1 55 ASN HA 1 56 THR MG . . 4.850 3.932 3.364 4.392 . 0 0 "[ . 1 . 2]" 2 692 1 56 THR HA 1 56 THR MG . . 3.310 2.942 2.266 3.206 . 0 0 "[ . 1 . 2]" 2 693 1 55 ASN QB 1 56 THR MG . . 4.500 3.817 2.909 4.490 . 0 0 "[ . 1 . 2]" 2 694 1 20 VAL MG1 1 21 THR H . . 4.540 4.046 3.865 4.362 . 0 0 "[ . 1 . 2]" 2 695 1 20 VAL H 1 20 VAL MG1 . . 3.860 2.637 2.213 3.230 . 0 0 "[ . 1 . 2]" 2 696 1 20 VAL HA 1 20 VAL MG1 . . 3.100 2.312 2.210 2.404 . 0 0 "[ . 1 . 2]" 2 697 1 64 VAL H 1 64 VAL MG1 . . 4.420 3.817 3.251 3.888 . 0 0 "[ . 1 . 2]" 2 698 1 64 VAL MG1 1 65 CYS H . . 4.180 3.178 2.922 3.989 . 0 0 "[ . 1 . 2]" 2 699 1 64 VAL HA 1 64 VAL MG1 . . 3.180 2.421 2.154 2.476 . 0 0 "[ . 1 . 2]" 2 700 1 39 HIS HB3 1 64 VAL MG1 . . 4.510 4.433 3.943 4.533 0.023 2 0 "[ . 1 . 2]" 2 701 1 21 THR MG 1 22 CYS H . . 3.640 2.006 1.863 2.295 . 0 0 "[ . 1 . 2]" 2 702 1 21 THR MG 1 27 GLU H . . 4.270 2.395 2.179 2.537 . 0 0 "[ . 1 . 2]" 2 703 1 21 THR MG 1 26 LEU H . . 4.180 3.533 3.394 3.780 . 0 0 "[ . 1 . 2]" 2 704 1 21 THR H 1 21 THR MG . . 4.010 3.777 3.686 3.916 . 0 0 "[ . 1 . 2]" 2 705 1 21 THR MG 1 27 GLU HA . . 4.190 2.660 2.515 2.762 . 0 0 "[ . 1 . 2]" 2 706 1 21 THR HA 1 21 THR MG . . 3.210 2.285 2.119 2.383 . 0 0 "[ . 1 . 2]" 2 707 1 21 THR MG 1 26 LEU HA . . 3.150 2.052 1.909 2.301 . 0 0 "[ . 1 . 2]" 2 708 1 33 VAL H 1 33 VAL MG1 . . 4.100 2.983 2.679 3.285 . 0 0 "[ . 1 . 2]" 2 709 1 33 VAL MG1 1 75 LYS H . . 5.200 4.599 4.205 4.997 . 0 0 "[ . 1 . 2]" 2 710 1 33 VAL HA 1 33 VAL MG1 . . 3.380 2.300 2.153 2.428 . 0 0 "[ . 1 . 2]" 2 711 1 33 VAL MG1 1 76 PRO HA . . 3.230 2.291 1.955 2.747 . 0 0 "[ . 1 . 2]" 2 712 1 33 VAL MG1 1 43 ARG HA . . 4.070 3.057 2.487 3.583 . 0 0 "[ . 1 . 2]" 2 713 1 47 THR MG 1 51 GLU H . . 4.500 4.001 3.517 4.300 . 0 0 "[ . 1 . 2]" 2 714 1 47 THR MG 1 71 PHE HZ . . 3.810 3.216 2.704 3.758 . 0 0 "[ . 1 . 2]" 2 715 1 47 THR MG 1 50 TYR QD . . 4.830 3.758 3.184 4.490 . 0 0 "[ . 1 . 2]" 2 716 1 47 THR HA 1 47 THR MG . . 3.130 2.378 2.277 2.444 . 0 0 "[ . 1 . 2]" 2 717 1 47 THR MG 1 51 GLU HG2 . . 4.330 3.309 2.203 4.233 . 0 0 "[ . 1 . 2]" 2 718 1 47 THR MG 1 51 GLU HG3 . . 4.330 2.964 2.265 4.202 . 0 0 "[ . 1 . 2]" 2 719 1 47 THR MG 1 48 LEU QB . . 4.650 4.306 3.950 4.647 . 0 0 "[ . 1 . 2]" 2 720 1 35 ALA MB 1 36 ASP H . . 3.360 2.188 1.974 2.382 . 0 0 "[ . 1 . 2]" 2 721 1 35 ALA MB 1 69 TYR QD . . 3.960 3.684 3.303 3.944 . 0 0 "[ . 1 . 2]" 2 722 1 34 SER HA 1 35 ALA MB . . 4.490 3.853 3.761 3.896 . 0 0 "[ . 1 . 2]" 2 723 1 35 ALA MB 1 69 TYR HB3 . . 4.000 3.706 3.575 3.824 . 0 0 "[ . 1 . 2]" 2 724 1 35 ALA MB 1 39 HIS HB3 . . 5.390 4.211 3.978 4.458 . 0 0 "[ . 1 . 2]" 2 725 1 35 ALA H 1 35 ALA MB . . 3.350 2.538 2.476 2.640 . 0 0 "[ . 1 . 2]" 2 726 1 35 ALA MB 1 41 PHE QE . . 3.890 2.918 2.650 3.118 . 0 0 "[ . 1 . 2]" 2 727 1 35 ALA MB 1 62 CYS HB2 . . 5.020 4.835 4.598 5.058 0.038 13 0 "[ . 1 . 2]" 2 728 1 35 ALA MB 1 39 HIS HB2 . . 4.840 3.010 2.722 3.306 . 0 0 "[ . 1 . 2]" 2 729 1 37 CYS HB3 1 67 VAL MG2 . . 5.030 3.410 3.081 3.677 . 0 0 "[ . 1 . 2]" 2 730 1 67 VAL H 1 67 VAL MG2 . . 4.020 3.471 2.513 3.875 . 0 0 "[ . 1 . 2]" 2 731 1 67 VAL HA 1 67 VAL MG2 . . 3.290 2.327 2.193 2.452 . 0 0 "[ . 1 . 2]" 2 732 1 37 CYS HB2 1 67 VAL MG2 . . 5.030 4.538 3.584 5.017 . 0 0 "[ . 1 . 2]" 2 733 1 12 VAL H 1 12 VAL MG2 . . 4.340 2.631 1.881 4.034 . 0 0 "[ . 1 . 2]" 2 734 1 12 VAL HA 1 12 VAL MG2 . . 3.700 2.748 2.280 3.203 . 0 0 "[ . 1 . 2]" 2 735 1 84 VAL H 1 84 VAL MG2 . . 4.230 2.262 1.872 2.988 . 0 0 "[ . 1 . 2]" 2 736 1 33 VAL MG2 1 34 SER H . . 4.470 4.017 3.822 4.178 . 0 0 "[ . 1 . 2]" 2 737 1 33 VAL MG2 1 41 PHE H . . 3.820 2.952 2.590 3.279 . 0 0 "[ . 1 . 2]" 2 738 1 33 VAL MG2 1 41 PHE QE . . 5.500 4.900 4.489 5.293 . 0 0 "[ . 1 . 2]" 2 739 1 33 VAL MG2 1 74 LEU H . . 5.500 5.188 4.908 5.525 0.025 13 0 "[ . 1 . 2]" 2 740 1 32 PRO HA 1 33 VAL MG2 . . 4.250 3.689 3.456 3.824 . 0 0 "[ . 1 . 2]" 2 741 1 33 VAL MG2 1 43 ARG HB2 . . 5.460 4.736 4.169 5.251 . 0 0 "[ . 1 . 2]" 2 742 1 46 ILE H 1 46 ILE MG . . 3.360 2.275 2.105 2.637 . 0 0 "[ . 1 . 2]" 2 743 1 46 ILE MG 1 71 PHE QE . . 4.230 3.911 2.993 4.244 0.014 11 0 "[ . 1 . 2]" 2 744 1 46 ILE MG 1 47 THR HG1 . . 4.600 2.736 2.032 3.242 . 0 0 "[ . 1 . 2]" 2 745 1 43 ARG HA 1 46 ILE MG . . 3.260 2.476 2.208 2.744 . 0 0 "[ . 1 . 2]" 2 746 1 41 PHE HB3 1 46 ILE MG . . 4.930 4.723 4.602 4.953 0.023 4 0 "[ . 1 . 2]" 2 747 1 41 PHE HB2 1 46 ILE MG . . 3.840 3.468 3.279 3.716 . 0 0 "[ . 1 . 2]" 2 748 1 33 VAL HB 1 46 ILE MG . . 5.310 4.725 4.418 5.194 . 0 0 "[ . 1 . 2]" 2 749 1 46 ILE HG12 1 46 ILE MG . . 3.410 2.205 2.036 3.160 . 0 0 "[ . 1 . 2]" 2 750 1 46 ILE HG13 1 46 ILE MG . . 3.410 2.827 2.547 3.179 . 0 0 "[ . 1 . 2]" 2 751 1 46 ILE MG 1 74 LEU MD1 . . 3.390 3.071 2.699 3.288 . 0 0 "[ . 1 . 2]" 2 752 1 46 ILE MG 1 47 THR HA . . 4.590 3.263 2.866 3.573 . 0 0 "[ . 1 . 2]" 2 753 1 17 LYS HB2 1 20 VAL MG2 . . 4.810 3.741 3.283 4.785 . 0 0 "[ . 1 . 2]" 2 754 1 20 VAL H 1 20 VAL MG2 . . 3.170 1.991 1.877 2.253 . 0 0 "[ . 1 . 2]" 2 755 1 17 LYS HA 1 20 VAL MG2 . . 4.510 4.094 2.453 4.570 0.060 8 0 "[ . 1 . 2]" 2 756 1 19 GLU HB3 1 20 VAL MG2 . . 5.330 4.968 4.548 5.340 0.010 20 0 "[ . 1 . 2]" 2 757 1 17 LYS HB3 1 20 VAL MG2 . . 4.430 2.579 1.965 3.934 . 0 0 "[ . 1 . 2]" 2 758 1 64 VAL H 1 64 VAL MG2 . . 4.420 2.724 1.821 2.891 . 0 0 "[ . 1 . 2]" 2 759 1 39 HIS HB3 1 64 VAL MG2 . . 4.510 3.496 2.468 3.822 . 0 0 "[ . 1 . 2]" 2 760 1 64 VAL MG2 1 65 CYS H . . 4.180 3.614 1.896 3.777 . 0 0 "[ . 1 . 2]" 2 761 1 64 VAL HA 1 64 VAL MG2 . . 3.180 2.418 2.272 3.165 . 0 0 "[ . 1 . 2]" 2 762 1 81 ALA MB 1 82 ASN H . . 4.270 3.027 2.146 3.717 . 0 0 "[ . 1 . 2]" 2 763 1 44 ALA H 1 44 ALA MB . . 3.100 2.165 2.067 2.252 . 0 0 "[ . 1 . 2]" 2 764 1 44 ALA MB 1 45 CYS H . . 3.740 2.259 2.031 2.499 . 0 0 "[ . 1 . 2]" 2 765 1 42 CYS HB3 1 44 ALA MB . . 4.290 3.544 3.423 3.692 . 0 0 "[ . 1 . 2]" 2 766 1 42 CYS HB2 1 44 ALA MB . . 4.290 3.639 3.498 3.747 . 0 0 "[ . 1 . 2]" 2 767 1 47 THR HA 1 71 PHE QE . . 3.890 3.120 2.561 3.845 . 0 0 "[ . 1 . 2]" 2 768 1 47 THR MG 1 71 PHE QE . . 4.550 3.908 3.415 4.359 . 0 0 "[ . 1 . 2]" 2 769 1 35 ALA MB 1 41 PHE HZ . . 4.630 4.407 3.959 4.636 0.006 3 0 "[ . 1 . 2]" 2 770 1 41 PHE QE 1 63 PRO HD2 . . 4.300 3.558 3.359 3.806 . 0 0 "[ . 1 . 2]" 2 771 1 23 PRO HG2 1 41 PHE QE . . 4.370 2.468 2.070 2.736 . 0 0 "[ . 1 . 2]" 2 772 1 41 PHE QE 1 74 LEU MD2 . . 4.490 4.266 3.881 4.499 0.009 8 0 "[ . 1 . 2]" 2 773 1 61 ASN HA 1 68 PRO HA . . 3.830 3.253 3.013 3.425 . 0 0 "[ . 1 . 2]" 2 774 1 39 HIS HD2 1 64 VAL MG1 . . 5.190 4.492 4.323 5.197 0.007 13 0 "[ . 1 . 2]" 2 775 1 39 HIS HA 1 39 HIS HD2 . . 3.490 2.301 2.252 2.362 . 0 0 "[ . 1 . 2]" 2 776 1 39 HIS HD2 1 64 VAL MG2 . . 5.190 5.039 4.151 5.206 0.016 10 0 "[ . 1 . 2]" 2 777 1 50 TYR QE 1 60 GLY H . . 4.670 3.882 2.998 4.660 . 0 0 "[ . 1 . 2]" 2 778 1 50 TYR QE 1 54 ARG HD2 . . 4.900 3.929 2.838 4.725 . 0 0 "[ . 1 . 2]" 2 779 1 50 TYR QE 1 71 PHE HB2 . . 5.070 3.688 2.930 4.428 . 0 0 "[ . 1 . 2]" 2 780 1 50 TYR QE 1 60 GLY HA2 . . 4.830 3.550 2.721 4.151 . 0 0 "[ . 1 . 2]" 2 781 1 69 TYR QE 1 74 LEU HG . . 4.410 4.102 2.796 4.416 0.006 17 0 "[ . 1 . 2]" 2 782 1 62 CYS HA 1 69 TYR QE . . 3.810 2.559 2.143 2.943 . 0 0 "[ . 1 . 2]" 2 783 1 69 TYR QE 1 71 PHE HA . . 3.760 3.115 2.462 3.631 . 0 0 "[ . 1 . 2]" 2 784 1 63 PRO HD3 1 69 TYR QE . . 4.790 4.104 3.764 4.590 . 0 0 "[ . 1 . 2]" 2 785 1 69 TYR QE 1 74 LEU MD1 . . 3.970 2.909 2.000 3.290 . 0 0 "[ . 1 . 2]" 2 786 1 34 SER HA 1 41 PHE H . . 4.770 4.422 4.006 4.783 0.013 20 0 "[ . 1 . 2]" 2 787 1 34 SER HA 1 40 SER HA . . 3.490 2.485 1.981 2.936 . 0 0 "[ . 1 . 2]" 2 788 1 34 SER HA 1 74 LEU MD2 . . 4.920 4.501 4.360 4.670 . 0 0 "[ . 1 . 2]" 2 789 1 69 TYR HA 1 70 PRO HG2 . . 5.110 4.396 4.304 4.481 . 0 0 "[ . 1 . 2]" 2 790 1 35 ALA MB 1 69 TYR HA . . 5.500 5.500 5.448 5.524 0.024 14 0 "[ . 1 . 2]" 2 791 1 39 HIS HE1 1 65 CYS H . . 4.620 3.781 3.403 4.228 . 0 0 "[ . 1 . 2]" 2 792 1 39 HIS HE1 1 65 CYS HA . . 4.450 4.364 4.141 4.459 0.009 15 0 "[ . 1 . 2]" 2 793 1 39 HIS HE1 1 64 VAL HB . . 4.900 3.436 2.726 4.210 . 0 0 "[ . 1 . 2]" 2 794 1 23 PRO HD2 1 41 PHE HA . . 4.150 3.698 3.451 3.896 . 0 0 "[ . 1 . 2]" 2 795 1 23 PRO HD3 1 41 PHE HA . . 5.000 4.864 4.640 5.014 0.014 8 0 "[ . 1 . 2]" 2 796 1 69 TYR HA 1 69 TYR QD . . 4.400 3.738 3.732 3.742 . 0 0 "[ . 1 . 2]" 2 797 1 61 ASN HA 1 69 TYR QD . . 4.570 4.059 3.626 4.291 . 0 0 "[ . 1 . 2]" 2 798 1 62 CYS HA 1 69 TYR QD . . 4.910 4.261 4.028 4.611 . 0 0 "[ . 1 . 2]" 2 799 1 69 TYR QD 1 71 PHE HA . . 3.890 3.168 2.671 3.927 0.037 10 0 "[ . 1 . 2]" 2 800 1 62 CYS HB2 1 69 TYR QD . . 4.340 2.969 2.810 3.176 . 0 0 "[ . 1 . 2]" 2 801 1 69 TYR QD 1 74 LEU HG . . 4.400 3.934 3.145 4.342 . 0 0 "[ . 1 . 2]" 2 802 1 69 TYR QD 1 74 LEU MD1 . . 4.850 3.969 3.428 4.336 . 0 0 "[ . 1 . 2]" 2 803 1 24 ILE HG13 1 41 PHE QD . . 4.330 3.388 2.964 3.764 . 0 0 "[ . 1 . 2]" 2 804 1 33 VAL MG2 1 41 PHE QD . . 3.800 3.470 3.119 3.741 . 0 0 "[ . 1 . 2]" 2 805 1 41 PHE QD 1 46 ILE HG13 . . 4.800 4.196 2.446 4.827 0.027 1 0 "[ . 1 . 2]" 2 806 1 41 PHE HA 1 41 PHE QD . . 4.250 3.158 3.030 3.271 . 0 0 "[ . 1 . 2]" 2 807 1 50 TYR QD 1 54 ARG QG . . 5.500 4.484 3.183 5.240 . 0 0 "[ . 1 . 2]" 2 808 1 50 TYR QD 1 51 GLU H . . 4.500 2.756 2.117 3.512 . 0 0 "[ . 1 . 2]" 2 809 1 50 TYR QD 1 71 PHE QE . . 4.800 3.656 2.647 4.505 . 0 0 "[ . 1 . 2]" 2 810 1 50 TYR QD 1 60 GLY HA3 . . 4.480 2.312 2.001 3.161 . 0 0 "[ . 1 . 2]" 2 811 1 50 TYR QD 1 60 GLY HA2 . . 4.480 2.996 2.009 3.902 . 0 0 "[ . 1 . 2]" 2 812 1 50 TYR QD 1 51 GLU HG3 . . 4.610 3.759 2.438 4.602 . 0 0 "[ . 1 . 2]" 2 813 1 23 PRO HD2 1 41 PHE QD . . 4.200 2.317 2.088 2.634 . 0 0 "[ . 1 . 2]" 2 814 1 23 PRO HG2 1 41 PHE QD . . 3.920 2.491 2.206 2.626 . 0 0 "[ . 1 . 2]" 2 815 1 41 PHE QD 1 46 ILE HG12 . . 4.800 4.198 2.819 4.783 . 0 0 "[ . 1 . 2]" 2 816 1 41 PHE QD 1 46 ILE HB . . 4.360 2.910 2.468 3.183 . 0 0 "[ . 1 . 2]" 2 817 1 41 PHE QD 1 46 ILE MG . . 4.220 4.152 3.805 4.257 0.037 7 0 "[ . 1 . 2]" 2 818 1 71 PHE H 1 71 PHE QD . . 5.440 4.092 3.868 4.253 . 0 0 "[ . 1 . 2]" 2 819 1 71 PHE QD 1 72 GLY H . . 5.500 3.493 2.717 4.827 . 0 0 "[ . 1 . 2]" 2 820 1 69 TYR QE 1 71 PHE QD . . 3.830 2.797 2.156 3.629 . 0 0 "[ . 1 . 2]" 2 821 1 8 MET H 1 8 MET HG3 . . 5.500 3.983 2.772 5.000 . 0 0 "[ . 1 . 2]" 2 822 1 8 MET H 1 8 MET HG2 . . 5.500 3.748 2.121 4.840 . 0 0 "[ . 1 . 2]" 2 823 1 17 LYS QG 1 18 GLU H . . 5.340 3.708 2.336 4.794 . 0 0 "[ . 1 . 2]" 2 824 1 20 VAL HA 1 20 VAL MG2 . . 3.410 3.195 3.181 3.203 . 0 0 "[ . 1 . 2]" 2 825 1 22 CYS HB2 1 24 ILE H . . 5.180 4.265 4.210 4.306 . 0 0 "[ . 1 . 2]" 2 826 1 22 CYS HB3 1 29 LEU HA . . 5.050 4.911 4.682 5.064 0.014 15 0 "[ . 1 . 2]" 2 827 1 21 THR MG 1 22 CYS HB2 . . 5.400 3.681 3.526 3.872 . 0 0 "[ . 1 . 2]" 2 828 1 24 ILE HG12 1 25 CYS H . . 5.140 4.795 4.708 4.846 . 0 0 "[ . 1 . 2]" 2 829 1 24 ILE MG 1 41 PHE QD . . 5.500 5.360 5.094 5.521 0.021 7 0 "[ . 1 . 2]" 2 830 1 24 ILE MD 1 42 CYS H . . 5.110 4.266 3.833 4.696 . 0 0 "[ . 1 . 2]" 2 831 1 24 ILE MG 1 25 CYS HA . . 4.750 3.353 3.205 3.626 . 0 0 "[ . 1 . 2]" 2 832 1 26 LEU HB2 1 26 LEU MD1 . . 3.120 2.188 2.086 2.273 . 0 0 "[ . 1 . 2]" 2 833 1 22 CYS HB3 1 29 LEU HG . . 4.910 4.383 4.138 4.762 . 0 0 "[ . 1 . 2]" 2 834 1 21 THR HA 1 29 LEU HG . . 4.380 3.078 2.781 3.285 . 0 0 "[ . 1 . 2]" 2 835 1 29 LEU MD2 1 41 PHE QD . . 4.860 4.147 3.876 4.544 . 0 0 "[ . 1 . 2]" 2 836 1 30 LYS HB2 1 31 GLU H . . 4.770 4.339 3.104 4.535 . 0 0 "[ . 1 . 2]" 2 837 1 30 LYS HA 1 30 LYS HD2 . . 5.170 4.410 2.832 5.305 0.135 20 0 "[ . 1 . 2]" 2 838 1 30 LYS HA 1 30 LYS HD3 . . 5.170 4.179 2.414 4.882 . 0 0 "[ . 1 . 2]" 2 839 1 31 GLU HB3 1 32 PRO HD2 . . 5.130 4.658 4.605 4.800 . 0 0 "[ . 1 . 2]" 2 840 1 31 GLU HB2 1 32 PRO HD2 . . 5.130 4.801 4.634 4.829 . 0 0 "[ . 1 . 2]" 2 841 1 31 GLU HB2 1 32 PRO HD3 . . 5.500 4.686 4.607 5.087 . 0 0 "[ . 1 . 2]" 2 842 1 31 GLU HB2 1 43 ARG HB3 . . 4.530 3.864 3.241 4.536 0.006 19 0 "[ . 1 . 2]" 2 843 1 29 LEU MD2 1 32 PRO HA . . 5.240 4.131 3.725 4.646 . 0 0 "[ . 1 . 2]" 2 844 1 22 CYS HA 1 23 PRO HG3 . . 5.080 4.316 4.314 4.321 . 0 0 "[ . 1 . 2]" 2 845 1 30 LYS HA 1 32 PRO HD2 . . 4.410 4.279 4.118 4.373 . 0 0 "[ . 1 . 2]" 2 846 1 33 VAL MG2 1 34 SER HA . . 5.010 4.402 4.254 4.487 . 0 0 "[ . 1 . 2]" 2 847 1 34 SER HB3 1 75 LYS QB . . 5.180 4.311 3.283 5.227 0.047 15 0 "[ . 1 . 2]" 2 848 1 40 SER HA 1 41 PHE QD . . 5.110 3.188 2.955 3.484 . 0 0 "[ . 1 . 2]" 2 849 1 23 PRO HD3 1 41 PHE HB3 . . 5.500 5.463 5.243 5.513 0.013 11 0 "[ . 1 . 2]" 2 850 1 41 PHE HB3 1 46 ILE H . . 4.870 3.594 3.404 3.833 . 0 0 "[ . 1 . 2]" 2 851 1 46 ILE HG13 1 74 LEU MD2 . . 4.920 4.197 3.001 4.674 . 0 0 "[ . 1 . 2]" 2 852 1 46 ILE HG13 1 74 LEU MD1 . . 4.690 3.438 2.912 4.307 . 0 0 "[ . 1 . 2]" 2 853 1 46 ILE HG12 1 74 LEU MD2 . . 4.920 3.521 2.800 4.231 . 0 0 "[ . 1 . 2]" 2 854 1 44 ALA MB 1 47 THR HB . . 4.840 3.945 3.754 4.226 . 0 0 "[ . 1 . 2]" 2 855 1 46 ILE MG 1 47 THR HB . . 5.110 3.782 3.644 3.891 . 0 0 "[ . 1 . 2]" 2 856 1 50 TYR QE 1 54 ARG QG . . 4.900 3.917 2.654 4.918 0.018 10 0 "[ . 1 . 2]" 2 857 1 50 TYR QE 1 71 PHE HB3 . . 5.070 4.595 3.956 5.082 0.012 10 0 "[ . 1 . 2]" 2 858 1 50 TYR HA 1 50 TYR QE . . 5.000 4.849 4.692 4.969 . 0 0 "[ . 1 . 2]" 2 859 1 50 TYR QE 1 60 GLY HA3 . . 4.830 3.499 2.851 4.104 . 0 0 "[ . 1 . 2]" 2 860 1 41 PHE HZ 1 63 PRO HD3 . . 5.500 5.104 4.795 5.401 . 0 0 "[ . 1 . 2]" 2 861 1 63 PRO HD3 1 64 VAL H . . 5.080 4.115 4.079 4.168 . 0 0 "[ . 1 . 2]" 2 862 1 52 SER QB 1 53 ASN HD22 . . 4.440 3.308 2.545 4.053 . 0 0 "[ . 1 . 2]" 2 863 1 54 ARG HA 1 54 ARG HD2 . . 5.270 4.624 3.799 5.299 0.029 4 0 "[ . 1 . 2]" 2 864 1 54 ARG HA 1 54 ARG HD3 . . 5.270 4.712 4.087 5.464 0.194 19 0 "[ . 1 . 2]" 2 865 1 50 TYR QE 1 54 ARG HD3 . . 4.900 3.904 2.858 4.872 . 0 0 "[ . 1 . 2]" 2 866 1 59 LYS HB2 1 59 LYS QE . . 5.080 3.988 3.319 4.472 . 0 0 "[ . 1 . 2]" 2 867 1 61 ASN HA 1 62 CYS HB2 . . 4.930 4.400 4.192 4.515 . 0 0 "[ . 1 . 2]" 2 868 1 36 ASP H 1 69 TYR HB2 . . 5.180 3.581 3.151 3.908 . 0 0 "[ . 1 . 2]" 2 869 1 36 ASP H 1 69 TYR QD . . 5.190 4.776 4.147 5.123 . 0 0 "[ . 1 . 2]" 2 870 1 69 TYR HA 1 70 PRO HG3 . . 5.110 4.393 4.343 4.449 . 0 0 "[ . 1 . 2]" 2 871 1 59 LYS QE 1 70 PRO HG3 . . 4.990 4.052 3.213 4.536 . 0 0 "[ . 1 . 2]" 2 872 1 69 TYR QD 1 70 PRO HD2 . . 5.050 3.802 3.389 4.044 . 0 0 "[ . 1 . 2]" 2 873 1 50 TYR HB3 1 71 PHE QD . . 5.000 4.519 3.687 5.003 0.003 17 0 "[ . 1 . 2]" 2 874 1 50 TYR HB2 1 71 PHE QD . . 5.000 3.873 2.807 4.465 . 0 0 "[ . 1 . 2]" 2 875 1 32 PRO HB2 1 77 ASN HB2 . . 4.320 3.944 3.080 4.324 0.004 7 0 "[ . 1 . 2]" 2 876 1 8 MET H 1 8 MET QG . . 4.780 3.300 2.103 4.263 . 0 0 "[ . 1 . 2]" 2 877 1 12 VAL H 1 12 VAL QG . . 3.730 2.318 1.816 2.951 . 0 0 "[ . 1 . 2]" 2 878 1 12 VAL QG 1 13 LEU H . . 4.100 2.783 1.907 3.732 . 0 0 "[ . 1 . 2]" 2 879 1 13 LEU H 1 13 LEU QB . . 3.610 2.528 2.122 3.216 . 0 0 "[ . 1 . 2]" 2 880 1 13 LEU HA 1 13 LEU QD . . 3.440 2.857 2.149 3.436 . 0 0 "[ . 1 . 2]" 2 881 1 13 LEU QB 1 14 GLU H . . 4.230 3.470 2.145 4.029 . 0 0 "[ . 1 . 2]" 2 882 1 13 LEU QD 1 14 GLU H . . 4.500 3.563 2.139 4.499 . 0 0 "[ . 1 . 2]" 2 883 1 15 MET QB 1 16 ILE H . . 3.940 3.232 1.960 3.869 . 0 0 "[ . 1 . 2]" 2 884 1 16 ILE H 1 16 ILE QG . . 3.440 2.531 2.010 3.061 . 0 0 "[ . 1 . 2]" 2 885 1 16 ILE HA 1 16 ILE QG . . 3.570 2.549 2.208 2.936 . 0 0 "[ . 1 . 2]" 2 886 1 16 ILE MG 1 18 GLU QG . . 4.000 3.033 1.794 4.004 0.004 3 0 "[ . 1 . 2]" 2 887 1 17 LYS H 1 17 LYS QD . . 3.950 3.709 1.868 4.101 0.151 9 0 "[ . 1 . 2]" 2 888 1 17 LYS HA 1 17 LYS QD . . 3.680 2.297 1.977 3.305 . 0 0 "[ . 1 . 2]" 2 889 1 17 LYS HB3 1 17 LYS QD . . 3.500 2.984 2.304 3.415 . 0 0 "[ . 1 . 2]" 2 890 1 17 LYS QD 1 18 GLU H . . 4.760 3.878 3.146 4.843 0.083 11 0 "[ . 1 . 2]" 2 891 1 18 GLU H 1 18 GLU QB . . 3.160 2.484 2.180 3.025 . 0 0 "[ . 1 . 2]" 2 892 1 18 GLU H 1 18 GLU QG . . 3.710 2.750 1.890 3.372 . 0 0 "[ . 1 . 2]" 2 893 1 19 GLU H 1 19 GLU QB . . 3.230 2.720 2.441 3.183 . 0 0 "[ . 1 . 2]" 2 894 1 19 GLU H 1 19 GLU QG . . 3.660 3.131 2.360 3.586 . 0 0 "[ . 1 . 2]" 2 895 1 19 GLU HA 1 19 GLU QG . . 3.380 2.407 2.132 3.339 . 0 0 "[ . 1 . 2]" 2 896 1 19 GLU QB 1 20 VAL H . . 3.940 2.898 2.251 3.906 . 0 0 "[ . 1 . 2]" 2 897 1 19 GLU QB 1 20 VAL MG1 . . 3.790 3.141 2.723 3.773 . 0 0 "[ . 1 . 2]" 2 898 1 19 GLU QB 1 20 VAL MG2 . . 4.570 3.986 3.620 4.609 0.039 20 0 "[ . 1 . 2]" 2 899 1 19 GLU QB 1 21 THR H . . 5.340 4.614 4.269 4.835 . 0 0 "[ . 1 . 2]" 2 900 1 19 GLU QG 1 20 VAL H . . 5.070 4.173 1.996 4.734 . 0 0 "[ . 1 . 2]" 2 901 1 22 CYS HB2 1 29 LEU QB . . 5.340 4.321 4.159 4.547 . 0 0 "[ . 1 . 2]" 2 902 1 23 PRO HA 1 64 VAL QG . . 5.040 4.482 3.986 4.894 . 0 0 "[ . 1 . 2]" 2 903 1 23 PRO QB 1 26 LEU MD2 . . 4.560 4.018 3.852 4.169 . 0 0 "[ . 1 . 2]" 2 904 1 23 PRO QB 1 41 PHE QD . . 5.130 4.418 4.197 4.547 . 0 0 "[ . 1 . 2]" 2 905 1 23 PRO QB 1 41 PHE QE . . 4.690 3.867 3.573 4.131 . 0 0 "[ . 1 . 2]" 2 906 1 23 PRO QB 1 64 VAL HA . . 4.970 4.391 4.064 4.820 . 0 0 "[ . 1 . 2]" 2 907 1 23 PRO QB 1 64 VAL QG . . 3.020 2.357 1.873 2.746 . 0 0 "[ . 1 . 2]" 2 908 1 23 PRO HG2 1 64 VAL QG . . 3.540 2.688 2.490 2.977 . 0 0 "[ . 1 . 2]" 2 909 1 23 PRO HG3 1 64 VAL QG . . 3.350 2.173 1.943 2.476 . 0 0 "[ . 1 . 2]" 2 910 1 23 PRO HD2 1 64 VAL QG . . 5.260 4.162 4.014 4.373 . 0 0 "[ . 1 . 2]" 2 911 1 23 PRO HD3 1 64 VAL QG . . 4.830 3.978 3.789 4.298 . 0 0 "[ . 1 . 2]" 2 912 1 24 ILE HB 1 45 CYS QB . . 3.430 3.200 2.975 3.342 . 0 0 "[ . 1 . 2]" 2 913 1 24 ILE MG 1 45 CYS QB . . 3.220 3.167 2.920 3.236 0.016 14 0 "[ . 1 . 2]" 2 914 1 24 ILE MG 1 49 ASN QB . . 4.180 3.782 3.269 4.200 0.020 15 0 "[ . 1 . 2]" 2 915 1 24 ILE MG 1 49 ASN QD . . 4.420 3.497 1.907 4.433 0.013 14 0 "[ . 1 . 2]" 2 916 1 24 ILE HG12 1 49 ASN QD . . 5.340 3.536 2.344 4.273 . 0 0 "[ . 1 . 2]" 2 917 1 24 ILE HG12 1 63 PRO QB . . 4.220 3.011 2.607 3.631 . 0 0 "[ . 1 . 2]" 2 918 1 24 ILE MD 1 45 CYS QB . . 3.050 1.942 1.848 2.060 . 0 0 "[ . 1 . 2]" 2 919 1 24 ILE MD 1 49 ASN QB . . 3.260 2.705 2.440 2.943 . 0 0 "[ . 1 . 2]" 2 920 1 24 ILE MD 1 49 ASN QD . . 4.910 3.052 1.931 3.881 . 0 0 "[ . 1 . 2]" 2 921 1 25 CYS H 1 45 CYS QB . . 4.930 4.515 4.286 4.692 . 0 0 "[ . 1 . 2]" 2 922 1 25 CYS QB 1 27 GLU QB . . 4.520 3.278 3.075 3.572 . 0 0 "[ . 1 . 2]" 2 923 1 25 CYS QB 1 27 GLU QG . . 4.080 3.318 2.379 3.838 . 0 0 "[ . 1 . 2]" 2 924 1 26 LEU QB 1 26 LEU MD2 . . 3.000 2.204 2.093 2.297 . 0 0 "[ . 1 . 2]" 2 925 1 27 GLU H 1 27 GLU QB . . 3.150 2.772 2.584 3.089 . 0 0 "[ . 1 . 2]" 2 926 1 27 GLU H 1 27 GLU QG . . 3.540 3.176 2.631 3.566 0.026 3 0 "[ . 1 . 2]" 2 927 1 27 GLU HA 1 27 GLU QG . . 3.450 2.653 2.218 3.325 . 0 0 "[ . 1 . 2]" 2 928 1 27 GLU QB 1 28 LEU H . . 2.970 2.414 2.130 2.649 . 0 0 "[ . 1 . 2]" 2 929 1 27 GLU QG 1 28 LEU H . . 4.020 3.511 3.005 4.029 0.009 7 0 "[ . 1 . 2]" 2 930 1 29 LEU H 1 29 LEU QB . . 3.310 2.405 2.303 2.552 . 0 0 "[ . 1 . 2]" 2 931 1 29 LEU QB 1 30 LYS H . . 4.200 3.356 3.210 3.514 . 0 0 "[ . 1 . 2]" 2 932 1 29 LEU QB 1 32 PRO HB2 . . 4.060 3.412 3.259 3.557 . 0 0 "[ . 1 . 2]" 2 933 1 29 LEU QB 1 32 PRO HB3 . . 3.630 2.136 1.974 2.255 . 0 0 "[ . 1 . 2]" 2 934 1 29 LEU QB 1 32 PRO QG . . 3.780 1.949 1.850 2.430 . 0 0 "[ . 1 . 2]" 2 935 1 29 LEU QB 1 32 PRO HD2 . . 4.720 3.852 3.749 4.371 . 0 0 "[ . 1 . 2]" 2 936 1 29 LEU QB 1 32 PRO HD3 . . 3.920 2.695 2.571 3.140 . 0 0 "[ . 1 . 2]" 2 937 1 29 LEU MD1 1 32 PRO QG . . 4.370 2.877 2.713 3.431 . 0 0 "[ . 1 . 2]" 2 938 1 29 LEU MD2 1 32 PRO QG . . 4.570 3.349 3.108 3.997 . 0 0 "[ . 1 . 2]" 2 939 1 30 LYS H 1 30 LYS QB . . 3.360 2.383 2.236 2.532 . 0 0 "[ . 1 . 2]" 2 940 1 30 LYS H 1 30 LYS QE . . 4.830 4.136 2.661 4.854 0.024 6 0 "[ . 1 . 2]" 2 941 1 30 LYS HA 1 30 LYS QG . . 3.590 2.491 2.178 3.312 . 0 0 "[ . 1 . 2]" 2 942 1 30 LYS HA 1 30 LYS QD . . 4.450 3.768 2.289 4.212 . 0 0 "[ . 1 . 2]" 2 943 1 30 LYS QB 1 30 LYS QE . . 3.540 2.429 1.965 3.515 . 0 0 "[ . 1 . 2]" 2 944 1 30 LYS QB 1 31 GLU H . . 4.170 3.553 3.031 3.914 . 0 0 "[ . 1 . 2]" 2 945 1 30 LYS QB 1 31 GLU QB . . 4.550 3.680 3.363 4.205 . 0 0 "[ . 1 . 2]" 2 946 1 30 LYS QB 1 42 CYS HB3 . . 4.190 3.471 2.934 4.204 0.014 20 0 "[ . 1 . 2]" 2 947 1 30 LYS QG 1 31 GLU H . . 4.840 3.862 2.898 4.721 . 0 0 "[ . 1 . 2]" 2 948 1 31 GLU HA 1 32 PRO QG . . 4.840 4.109 4.090 4.137 . 0 0 "[ . 1 . 2]" 2 949 1 31 GLU QB 1 43 ARG H . . 4.220 3.796 3.330 4.137 . 0 0 "[ . 1 . 2]" 2 950 1 31 GLU QB 1 43 ARG HB2 . . 3.770 2.758 2.019 3.284 . 0 0 "[ . 1 . 2]" 2 951 1 31 GLU QB 1 43 ARG HB3 . . 3.820 3.543 3.050 3.824 0.004 13 0 "[ . 1 . 2]" 2 952 1 31 GLU QB 1 43 ARG QD . . 4.150 3.240 2.141 4.178 0.028 11 0 "[ . 1 . 2]" 2 953 1 32 PRO HB2 1 77 ASN QB . . 3.760 3.229 2.658 3.709 . 0 0 "[ . 1 . 2]" 2 954 1 32 PRO QG 1 77 ASN QB . . 3.760 2.120 1.916 2.771 . 0 0 "[ . 1 . 2]" 2 955 1 33 VAL HB 1 74 LEU QB . . 3.380 1.992 1.939 2.124 . 0 0 "[ . 1 . 2]" 2 956 1 33 VAL MG1 1 43 ARG QG . . 4.280 3.618 2.610 4.312 0.032 15 0 "[ . 1 . 2]" 2 957 1 33 VAL MG1 1 76 PRO QB . . 3.840 3.485 2.910 3.844 0.004 15 0 "[ . 1 . 2]" 2 958 1 33 VAL MG1 1 76 PRO QD . . 4.400 4.045 3.441 4.404 0.004 18 0 "[ . 1 . 2]" 2 959 1 33 VAL MG2 1 46 ILE QG . . 4.580 3.027 2.358 3.936 . 0 0 "[ . 1 . 2]" 2 960 1 33 VAL MG2 1 74 LEU QB . . 4.750 2.238 1.939 2.608 . 0 0 "[ . 1 . 2]" 2 961 1 34 SER QB 1 35 ALA H . . 3.510 2.732 2.471 3.295 . 0 0 "[ . 1 . 2]" 2 962 1 34 SER QB 1 38 ASN HA . . 4.040 3.808 3.451 4.063 0.023 19 0 "[ . 1 . 2]" 2 963 1 34 SER QB 1 40 SER HA . . 4.780 4.454 3.746 4.711 . 0 0 "[ . 1 . 2]" 2 964 1 35 ALA MB 1 36 ASP QB . . 5.030 3.589 3.424 3.982 . 0 0 "[ . 1 . 2]" 2 965 1 35 ALA MB 1 69 TYR QB . . 3.420 3.224 3.162 3.293 . 0 0 "[ . 1 . 2]" 2 966 1 36 ASP H 1 36 ASP QB . . 3.480 2.258 2.150 2.750 . 0 0 "[ . 1 . 2]" 2 967 1 36 ASP H 1 69 TYR QB . . 4.480 3.340 2.985 3.661 . 0 0 "[ . 1 . 2]" 2 968 1 36 ASP QB 1 37 CYS H . . 3.610 2.723 2.625 2.820 . 0 0 "[ . 1 . 2]" 2 969 1 37 CYS H 1 37 CYS QB . . 3.200 2.766 2.693 2.825 . 0 0 "[ . 1 . 2]" 2 970 1 37 CYS QB 1 38 ASN H . . 4.050 4.032 4.009 4.039 . 0 0 "[ . 1 . 2]" 2 971 1 37 CYS QB 1 39 HIS HE1 . . 4.670 3.371 2.949 3.643 . 0 0 "[ . 1 . 2]" 2 972 1 37 CYS QB 1 67 VAL HB . . 3.850 3.497 2.849 3.855 0.005 14 0 "[ . 1 . 2]" 2 973 1 37 CYS QB 1 67 VAL QG . . 3.330 2.253 1.946 2.853 . 0 0 "[ . 1 . 2]" 2 974 1 39 HIS HB2 1 64 VAL QG . . 4.990 4.283 3.254 4.457 . 0 0 "[ . 1 . 2]" 2 975 1 39 HIS HB3 1 64 VAL QG . . 3.620 3.363 2.444 3.622 0.002 11 0 "[ . 1 . 2]" 2 976 1 39 HIS HD2 1 64 VAL QG . . 4.200 4.174 3.994 4.224 0.024 20 0 "[ . 1 . 2]" 2 977 1 39 HIS HE1 1 64 VAL QG . . 3.880 2.573 1.986 2.982 . 0 0 "[ . 1 . 2]" 2 978 1 39 HIS HE1 1 65 CYS QB . . 2.910 2.237 1.995 2.501 . 0 0 "[ . 1 . 2]" 2 979 1 39 HIS HE1 1 67 VAL QG . . 5.130 4.873 4.293 5.133 0.003 16 0 "[ . 1 . 2]" 2 980 1 40 SER QB 1 77 ASN QD . . 4.250 3.087 2.080 3.993 . 0 0 "[ . 1 . 2]" 2 981 1 41 PHE H 1 46 ILE QG . . 5.340 5.154 4.010 5.356 0.016 14 0 "[ . 1 . 2]" 2 982 1 41 PHE QD 1 46 ILE QG . . 4.130 3.618 2.305 3.879 . 0 0 "[ . 1 . 2]" 2 983 1 41 PHE QD 1 64 VAL QG . . 4.350 3.766 3.525 3.917 . 0 0 "[ . 1 . 2]" 2 984 1 41 PHE QE 1 64 VAL QG . . 3.690 1.997 1.833 2.383 . 0 0 "[ . 1 . 2]" 2 985 1 41 PHE HZ 1 64 VAL QG . . 4.280 2.923 1.945 3.570 . 0 0 "[ . 1 . 2]" 2 986 1 42 CYS H 1 45 CYS QB . . 3.630 2.767 2.615 2.904 . 0 0 "[ . 1 . 2]" 2 987 1 42 CYS HB2 1 45 CYS QB . . 3.450 2.033 1.967 2.184 . 0 0 "[ . 1 . 2]" 2 988 1 42 CYS HB3 1 45 CYS QB . . 4.030 3.686 3.616 3.844 . 0 0 "[ . 1 . 2]" 2 989 1 43 ARG H 1 43 ARG QG . . 4.340 3.980 3.712 4.089 . 0 0 "[ . 1 . 2]" 2 990 1 43 ARG HA 1 43 ARG QG . . 3.330 2.573 2.145 2.960 . 0 0 "[ . 1 . 2]" 2 991 1 45 CYS H 1 45 CYS QB . . 3.580 2.415 2.318 2.530 . 0 0 "[ . 1 . 2]" 2 992 1 45 CYS HA 1 48 LEU QD . . 4.810 3.405 1.949 4.680 . 0 0 "[ . 1 . 2]" 2 993 1 45 CYS QB 1 46 ILE H . . 3.480 2.205 2.061 2.395 . 0 0 "[ . 1 . 2]" 2 994 1 45 CYS QB 1 49 ASN H . . 5.300 4.456 4.237 4.681 . 0 0 "[ . 1 . 2]" 2 995 1 46 ILE H 1 46 ILE QG . . 4.660 4.014 3.834 4.075 . 0 0 "[ . 1 . 2]" 2 996 1 46 ILE HA 1 46 ILE QG . . 3.730 2.504 2.126 2.799 . 0 0 "[ . 1 . 2]" 2 997 1 46 ILE HA 1 49 ASN QB . . 3.300 2.944 2.551 3.202 . 0 0 "[ . 1 . 2]" 2 998 1 46 ILE QG 1 69 TYR QE . . 4.740 3.658 3.305 4.146 . 0 0 "[ . 1 . 2]" 2 999 1 46 ILE QG 1 71 PHE QE . . 4.760 3.359 2.789 4.434 . 0 0 "[ . 1 . 2]" 2 1000 1 46 ILE QG 1 74 LEU MD2 . . 4.210 3.289 2.740 3.918 . 0 0 "[ . 1 . 2]" 2 1001 1 47 THR HA 1 50 TYR QB . . 3.950 2.875 2.493 3.367 . 0 0 "[ . 1 . 2]" 2 1002 1 47 THR MG 1 51 GLU QG . . 3.720 2.659 2.102 3.161 . 0 0 "[ . 1 . 2]" 2 1003 1 48 LEU H 1 48 LEU QD . . 3.910 3.104 1.891 3.736 . 0 0 "[ . 1 . 2]" 2 1004 1 48 LEU HA 1 48 LEU QD . . 3.090 2.430 1.870 3.047 . 0 0 "[ . 1 . 2]" 2 1005 1 48 LEU HA 1 51 GLU QB . . 3.620 2.883 2.187 3.841 0.221 14 0 "[ . 1 . 2]" 2 1006 1 48 LEU QB 1 48 LEU QD . . 2.720 1.898 1.806 2.061 . 0 0 "[ . 1 . 2]" 2 1007 1 48 LEU QD 1 49 ASN H . . 4.650 3.551 2.829 3.931 . 0 0 "[ . 1 . 2]" 2 1008 1 48 LEU QD 1 51 GLU QB . . 4.630 3.619 2.851 4.644 0.014 15 0 "[ . 1 . 2]" 2 1009 1 49 ASN H 1 50 TYR QB . . 5.340 4.555 4.185 4.728 . 0 0 "[ . 1 . 2]" 2 1010 1 49 ASN HA 1 49 ASN QD . . 3.780 2.936 2.484 3.709 . 0 0 "[ . 1 . 2]" 2 1011 1 49 ASN HA 1 53 ASN QD . . 4.190 3.318 2.456 4.036 . 0 0 "[ . 1 . 2]" 2 1012 1 49 ASN QB 1 50 TYR H . . 3.590 2.444 2.235 2.729 . 0 0 "[ . 1 . 2]" 2 1013 1 49 ASN QD 1 63 PRO QB . . 4.310 2.353 1.874 4.127 . 0 0 "[ . 1 . 2]" 2 1014 1 49 ASN QD 1 63 PRO QG . . 4.650 3.112 2.425 3.812 . 0 0 "[ . 1 . 2]" 2 1015 1 50 TYR H 1 50 TYR QB . . 3.230 2.183 2.132 2.267 . 0 0 "[ . 1 . 2]" 2 1016 1 50 TYR HA 1 53 ASN QB . . 5.030 3.903 1.996 5.033 0.003 12 0 "[ . 1 . 2]" 2 1017 1 50 TYR QB 1 51 GLU H . . 3.730 2.484 2.274 2.657 . 0 0 "[ . 1 . 2]" 2 1018 1 50 TYR QB 1 71 PHE QE . . 4.190 3.191 2.102 3.856 . 0 0 "[ . 1 . 2]" 2 1019 1 50 TYR QD 1 60 GLY QA . . 3.790 2.152 1.944 2.551 . 0 0 "[ . 1 . 2]" 2 1020 1 50 TYR QE 1 54 ARG QB . . 4.720 3.136 2.028 4.706 . 0 0 "[ . 1 . 2]" 2 1021 1 50 TYR QE 1 54 ARG QD . . 4.080 3.334 2.716 4.021 . 0 0 "[ . 1 . 2]" 2 1022 1 50 TYR QE 1 71 PHE QB . . 4.330 3.529 2.872 4.086 . 0 0 "[ . 1 . 2]" 2 1023 1 51 GLU H 1 51 GLU QB . . 3.160 2.477 2.347 2.598 . 0 0 "[ . 1 . 2]" 2 1024 1 51 GLU H 1 51 GLU QG . . 3.530 2.210 1.925 2.429 . 0 0 "[ . 1 . 2]" 2 1025 1 51 GLU HA 1 51 GLU QG . . 3.540 2.600 2.268 3.334 . 0 0 "[ . 1 . 2]" 2 1026 1 51 GLU QB 1 52 SER H . . 3.840 2.517 2.153 3.587 . 0 0 "[ . 1 . 2]" 2 1027 1 53 ASN H 1 53 ASN QB . . 3.470 2.682 2.203 3.116 . 0 0 "[ . 1 . 2]" 2 1028 1 53 ASN QB 1 53 ASN QD . . 3.080 2.188 2.063 2.486 . 0 0 "[ . 1 . 2]" 2 1029 1 53 ASN QB 1 54 ARG H . . 3.670 3.561 3.265 3.720 0.050 14 0 "[ . 1 . 2]" 2 1030 1 53 ASN QB 1 54 ARG HA . . 5.340 4.237 4.065 4.703 . 0 0 "[ . 1 . 2]" 2 1031 1 54 ARG H 1 54 ARG QB . . 3.350 2.785 2.196 3.351 0.001 9 0 "[ . 1 . 2]" 2 1032 1 54 ARG HA 1 54 ARG QD . . 4.570 4.104 3.645 4.364 . 0 0 "[ . 1 . 2]" 2 1033 1 54 ARG HA 1 60 GLY QA . . 4.650 2.833 2.003 4.262 . 0 0 "[ . 1 . 2]" 2 1034 1 54 ARG QB 1 54 ARG QD . . 3.310 2.120 2.019 2.284 . 0 0 "[ . 1 . 2]" 2 1035 1 54 ARG QB 1 55 ASN H . . 3.740 2.583 2.054 3.602 . 0 0 "[ . 1 . 2]" 2 1036 1 55 ASN H 1 55 ASN QD . . 4.600 3.847 2.204 4.652 0.052 15 0 "[ . 1 . 2]" 2 1037 1 55 ASN H 1 60 GLY QA . . 4.570 3.474 2.502 4.511 . 0 0 "[ . 1 . 2]" 2 1038 1 55 ASN QB 1 59 LYS QB . . 4.780 3.342 1.918 4.694 . 0 0 "[ . 1 . 2]" 2 1039 1 55 ASN QD 1 59 LYS QB . . 4.040 2.961 1.880 4.029 . 0 0 "[ . 1 . 2]" 2 1040 1 57 ASP H 1 57 ASP QB . . 3.680 2.433 2.143 3.458 . 0 0 "[ . 1 . 2]" 2 1041 1 57 ASP QB 1 59 LYS H . . 4.560 3.132 2.786 3.657 . 0 0 "[ . 1 . 2]" 2 1042 1 59 LYS H 1 59 LYS QB . . 3.050 2.388 2.211 2.601 . 0 0 "[ . 1 . 2]" 2 1043 1 59 LYS H 1 59 LYS QG . . 3.350 2.517 1.942 3.247 . 0 0 "[ . 1 . 2]" 2 1044 1 59 LYS H 1 60 GLY QA . . 5.340 5.076 4.669 5.301 . 0 0 "[ . 1 . 2]" 2 1045 1 59 LYS QB 1 59 LYS QD . . 3.240 2.168 2.008 2.493 . 0 0 "[ . 1 . 2]" 2 1046 1 59 LYS QB 1 59 LYS QE . . 4.320 3.140 1.964 3.765 . 0 0 "[ . 1 . 2]" 2 1047 1 59 LYS QB 1 60 GLY H . . 3.530 2.496 1.995 3.118 . 0 0 "[ . 1 . 2]" 2 1048 1 59 LYS QB 1 68 PRO HB3 . . 4.430 3.600 2.779 4.428 . 0 0 "[ . 1 . 2]" 2 1049 1 59 LYS QB 1 69 TYR H . . 4.030 3.609 3.165 4.019 . 0 0 "[ . 1 . 2]" 2 1050 1 59 LYS QG 1 60 GLY H . . 4.640 3.936 3.218 4.459 . 0 0 "[ . 1 . 2]" 2 1051 1 59 LYS QD 1 69 TYR HA . . 5.340 4.166 2.939 5.347 0.007 18 0 "[ . 1 . 2]" 2 1052 1 59 LYS QD 1 70 PRO QD . . 4.850 3.971 2.857 4.835 . 0 0 "[ . 1 . 2]" 2 1053 1 59 LYS QE 1 70 PRO QB . . 4.210 2.652 2.081 3.373 . 0 0 "[ . 1 . 2]" 2 1054 1 59 LYS QE 1 70 PRO QG . . 4.320 3.817 3.119 4.166 . 0 0 "[ . 1 . 2]" 2 1055 1 59 LYS QE 1 70 PRO QD . . 4.540 2.921 2.095 3.839 . 0 0 "[ . 1 . 2]" 2 1056 1 60 GLY QA 1 61 ASN H . . 3.010 2.205 2.112 2.283 . 0 0 "[ . 1 . 2]" 2 1057 1 60 GLY QA 1 69 TYR QE . . 4.530 3.869 3.273 4.433 . 0 0 "[ . 1 . 2]" 2 1058 1 61 ASN H 1 61 ASN QB . . 3.270 2.720 2.234 3.249 . 0 0 "[ . 1 . 2]" 2 1059 1 61 ASN H 1 61 ASN QD . . 4.570 3.361 2.037 4.612 0.042 16 0 "[ . 1 . 2]" 2 1060 1 61 ASN QB 1 62 CYS H . . 3.960 2.920 2.568 3.649 . 0 0 "[ . 1 . 2]" 2 1061 1 61 ASN QB 1 66 ARG HA . . 3.680 2.788 2.383 3.764 0.084 16 0 "[ . 1 . 2]" 2 1062 1 61 ASN QB 1 69 TYR QE . . 5.340 4.960 4.720 5.230 . 0 0 "[ . 1 . 2]" 2 1063 1 62 CYS HB3 1 67 VAL QG . . 4.650 3.041 2.412 3.892 . 0 0 "[ . 1 . 2]" 2 1064 1 63 PRO QB 1 64 VAL HA . . 5.340 4.344 4.310 4.409 . 0 0 "[ . 1 . 2]" 2 1065 1 63 PRO QG 1 64 VAL QG . . 3.810 2.546 2.425 2.728 . 0 0 "[ . 1 . 2]" 2 1066 1 64 VAL H 1 64 VAL QG . . 3.250 2.666 1.812 2.811 . 0 0 "[ . 1 . 2]" 2 1067 1 64 VAL HA 1 64 VAL QG . . 2.750 2.139 2.080 2.179 . 0 0 "[ . 1 . 2]" 2 1068 1 64 VAL QG 1 65 CYS H . . 3.660 2.920 1.892 3.125 . 0 0 "[ . 1 . 2]" 2 1069 1 64 VAL QG 1 65 CYS HA . . 4.450 3.523 3.374 3.931 . 0 0 "[ . 1 . 2]" 2 1070 1 64 VAL QG 1 65 CYS QB . . 4.000 3.177 2.980 3.302 . 0 0 "[ . 1 . 2]" 2 1071 1 65 CYS QB 1 67 VAL QG . . 4.010 3.216 2.257 3.718 . 0 0 "[ . 1 . 2]" 2 1072 1 66 ARG H 1 66 ARG QG . . 4.350 2.999 2.390 4.339 . 0 0 "[ . 1 . 2]" 2 1073 1 66 ARG HA 1 66 ARG QG . . 3.720 2.640 2.213 3.431 . 0 0 "[ . 1 . 2]" 2 1074 1 66 ARG HA 1 66 ARG QD . . 3.770 2.658 2.026 3.705 . 0 0 "[ . 1 . 2]" 2 1075 1 67 VAL H 1 67 VAL QG . . 3.080 2.260 1.940 2.668 . 0 0 "[ . 1 . 2]" 2 1076 1 67 VAL HA 1 68 PRO QG . . 4.000 3.847 3.803 3.875 . 0 0 "[ . 1 . 2]" 2 1077 1 67 VAL QG 1 68 PRO HB2 . . 4.640 4.305 4.180 4.477 . 0 0 "[ . 1 . 2]" 2 1078 1 67 VAL QG 1 68 PRO QG . . 3.950 2.934 2.823 3.092 . 0 0 "[ . 1 . 2]" 2 1079 1 67 VAL QG 1 68 PRO HD2 . . 3.010 1.844 1.787 1.962 . 0 0 "[ . 1 . 2]" 2 1080 1 67 VAL QG 1 68 PRO HD3 . . 3.340 3.120 3.046 3.266 . 0 0 "[ . 1 . 2]" 2 1081 1 69 TYR HA 1 70 PRO QG . . 4.330 3.915 3.852 3.978 . 0 0 "[ . 1 . 2]" 2 1082 1 69 TYR HA 1 70 PRO QD . . 2.950 2.011 1.952 2.068 . 0 0 "[ . 1 . 2]" 2 1083 1 69 TYR QB 1 70 PRO QD . . 3.390 2.247 2.007 2.484 . 0 0 "[ . 1 . 2]" 2 1084 1 69 TYR QD 1 70 PRO QD . . 4.400 3.675 3.313 3.882 . 0 0 "[ . 1 . 2]" 2 1085 1 69 TYR QE 1 71 PHE QB . . 5.330 4.101 3.225 4.989 . 0 0 "[ . 1 . 2]" 2 1086 1 70 PRO QB 1 73 ASN H . . 4.000 3.731 3.484 3.955 . 0 0 "[ . 1 . 2]" 2 1087 1 70 PRO QB 1 73 ASN QB . . 3.870 3.065 2.293 3.816 . 0 0 "[ . 1 . 2]" 2 1088 1 70 PRO QB 1 73 ASN QD . . 5.000 3.419 1.894 4.723 . 0 0 "[ . 1 . 2]" 2 1089 1 70 PRO QG 1 73 ASN QB . . 3.640 2.203 1.867 2.443 . 0 0 "[ . 1 . 2]" 2 1090 1 70 PRO QG 1 73 ASN QD . . 4.130 2.719 1.844 3.921 . 0 0 "[ . 1 . 2]" 2 1091 1 70 PRO QD 1 73 ASN QB . . 3.920 3.756 3.332 3.905 . 0 0 "[ . 1 . 2]" 2 1092 1 71 PHE HA 1 73 ASN QB . . 5.340 4.899 4.538 5.311 . 0 0 "[ . 1 . 2]" 2 1093 1 72 GLY QA 1 73 ASN QB . . 5.180 4.372 4.128 4.572 . 0 0 "[ . 1 . 2]" 2 1094 1 73 ASN H 1 73 ASN QB . . 3.360 2.328 2.160 2.656 . 0 0 "[ . 1 . 2]" 2 1095 1 74 LEU H 1 74 LEU QB . . 3.600 2.582 2.463 2.699 . 0 0 "[ . 1 . 2]" 2 1096 1 74 LEU QB 1 74 LEU MD1 . . 3.270 2.013 1.932 2.097 . 0 0 "[ . 1 . 2]" 2 1097 1 74 LEU QB 1 75 LYS H . . 3.910 3.053 2.727 3.262 . 0 0 "[ . 1 . 2]" 2 1098 1 75 LYS QB 1 76 PRO QD . . 3.230 2.230 1.977 2.546 . 0 0 "[ . 1 . 2]" 2 1099 1 75 LYS QG 1 76 PRO QD . . 4.170 3.462 2.952 3.824 . 0 0 "[ . 1 . 2]" 2 1100 1 76 PRO HA 1 78 LEU QD . . 4.630 4.078 3.143 4.645 0.015 15 0 "[ . 1 . 2]" 2 1101 1 76 PRO QB 1 77 ASN H . . 3.700 3.375 2.980 3.726 0.026 16 0 "[ . 1 . 2]" 2 1102 1 76 PRO QB 1 78 LEU QB . . 5.190 3.989 2.707 5.163 . 0 0 "[ . 1 . 2]" 2 1103 1 76 PRO QB 1 78 LEU HG . . 5.340 3.899 2.014 5.334 . 0 0 "[ . 1 . 2]" 2 1104 1 76 PRO QB 1 78 LEU QD . . 3.750 2.262 1.786 2.907 . 0 0 "[ . 1 . 2]" 2 1105 1 76 PRO QG 1 78 LEU QD . . 3.970 2.998 2.383 3.649 . 0 0 "[ . 1 . 2]" 2 1106 1 76 PRO QD 1 78 LEU QD . . 5.280 4.435 3.830 5.044 . 0 0 "[ . 1 . 2]" 2 1107 1 77 ASN HA 1 80 VAL QG . . 4.520 2.914 1.852 4.433 . 0 0 "[ . 1 . 2]" 2 1108 1 77 ASN QB 1 80 VAL QG . . 4.120 3.545 2.723 4.070 . 0 0 "[ . 1 . 2]" 2 1109 1 77 ASN QD 1 80 VAL QG . . 4.250 2.870 1.808 3.966 . 0 0 "[ . 1 . 2]" 2 1110 1 78 LEU H 1 78 LEU QD . . 4.290 2.614 1.840 3.543 . 0 0 "[ . 1 . 2]" 2 1111 1 78 LEU H 1 80 VAL QG . . 5.040 3.199 2.044 4.578 . 0 0 "[ . 1 . 2]" 2 1112 1 78 LEU HA 1 78 LEU QD . . 3.690 2.847 1.916 3.395 . 0 0 "[ . 1 . 2]" 2 1113 1 78 LEU HA 1 80 VAL QG . . 5.440 4.091 3.256 5.191 . 0 0 "[ . 1 . 2]" 2 1114 1 78 LEU QB 1 78 LEU QD . . 2.830 1.864 1.753 2.014 . 0 0 "[ . 1 . 2]" 2 1115 1 78 LEU QD 1 79 HIS H . . 5.440 3.667 2.544 4.532 . 0 0 "[ . 1 . 2]" 2 1116 1 79 HIS QB 1 80 VAL H . . 4.320 3.775 3.032 4.027 . 0 0 "[ . 1 . 2]" 2 1117 1 80 VAL H 1 80 VAL QG . . 3.540 2.137 1.778 2.948 . 0 0 "[ . 1 . 2]" 2 1118 1 80 VAL QG 1 81 ALA H . . 4.190 3.193 2.418 3.743 . 0 0 "[ . 1 . 2]" 2 1119 1 80 VAL QG 1 81 ALA HA . . 5.440 3.782 3.199 4.462 . 0 0 "[ . 1 . 2]" 2 1120 1 81 ALA HA 1 84 VAL QG . . 4.570 4.173 2.700 4.571 0.001 4 0 "[ . 1 . 2]" 2 1121 1 82 ASN QB 1 83 ILE H . . 4.160 2.729 2.057 4.017 . 0 0 "[ . 1 . 2]" 2 1122 1 84 VAL H 1 84 VAL QG . . 3.650 2.190 1.833 2.900 . 0 0 "[ . 1 . 2]" 2 1123 1 84 VAL QG 1 85 GLU H . . 4.360 3.090 1.932 3.737 . 0 0 "[ . 1 . 2]" 2 stop_ save_
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